Target Poor or Non Binder(s) Information

Target General Information

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Target ID

T47081

Target Info

Target Name

Rotamase A (PPIA)

Synonyms

PPIA; Cyclophilin A; CyPA

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Target Type

Successful Target

Gene Name

PPIA

Biochemical Class

Cis-trans-isomerases

UniProt ID

P62937

Poor Binders of This Target (in total, 6 binders)

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Compound Name

(2R)-N-[2-(Benzylcarbamoyl)cyclopentyl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL358925; BDBM50121238

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Activity

IC50 = 90000 nM

[1]

Compound Name

(2S)-N-[1-(Benzylcarbamoyl)cyclopentyl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL1793898; BDBM50369808; Dav-His-Ala-Gly-Pro-Acp-NH-CH2-Ph; 1-[[N-(3-Methylbutanoyl)-L-His-L-Ala-Gly-L-Pro-]amino]-N-benzylcyclopentane-1-carboxamide; Deaminovaline (isovaleric acid)-His-Ala-Gly-Pro-2-aminocyclopentanecarboxylate-NH-CH2-Ph

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Activity

IC50 = 90000 nM

[2]

Compound Name

Ac-Val-His-Ala-Gly-Pro-Ile-NH-CH2-Ph

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Investigative

Compound Info

Synonyms

CHEMBL1790326; BDBM50369806

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Activity

IC50 = 115000 nM

[2]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL263062; BDBM50121242

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Activity

IC50 = 115000 nM

[1]

Compound Name

(2R)-N-[(2S,3S)-1-[[(2S)-1-Amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL434694; BDBM50121227

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Activity

IC50 = 165000 nM

[1]

Compound Name

(2S)-N-[(2S,3S)-1-[[(2R)-1-Amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL1790324; BDBM50369804

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Activity

IC50 = 165000 nM

[2]

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Non Binders of This Target (in total, 38 non binders)

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Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL149224; BDBM50121235

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Activity

IC50 = 260000 nM

[1]

Compound Name

Val-His-Ala-Gly-Pro-Ile-NH-CH2-Ph

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Investigative

Compound Info

Synonyms

CHEMBL1790327; BDBM50369803

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Activity

IC50 = 260000 nM

[2]

Compound Name

Ac-His-Ala-Gly-Pro-Ile-NH-CH2-Ph

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Investigative

Compound Info

Synonyms

CHEMBL1790319; BDBM50369816

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Activity

IC50 = 280000 nM

[2]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL151381; BDBM50121236

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Activity

IC50 = 280000 nM

[1]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL151385; BDBM50121234

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Activity

IC50 = 325000 nM

[1]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-(3,3-diphenylpropylamino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL433738; BDBM50121233

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Activity

IC50 = 365000 nM

[1]

Compound Name

(2R)-N-[2-(Benzylcarbamoyl)cyclopentyl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL358023; BDBM50121232

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Activity

IC50 = 500000 nM

[1]

Compound Name

Dav-His-Aib-Gly-Pro-Acp-NH-CH2-Ph

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Investigative

Compound Info

Synonyms

CHEMBL1793899; BDBM50369805; 1-[[N-(3-Methylbutanoyl)-L-His-Aib-Gly-L-Pro-]amino]-N-benzylcyclopentane-1-carboxamide; Deaminovaline-His-2-aminoisobutyrate-Gly-Pro-2-aminocyclopentanecarboxylate-NH-CH2-Ph

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Activity

IC50 = 500000 nM

[2]

Compound Name

Ac-Val-His-Ala-Gly-Pro-Acp-Ala-NH2

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Investigative

Compound Info

Synonyms

CHEMBL1793897; BDBM50369817; Ac-Val-His-Ala-Gly-Pro-2-aminocyclopentanecarboxylate-Ala-NH2

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Activity

IC50 = 680000 nM

[2]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]cyclopentyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL2371033; BDBM50121226

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Activity

IC50 = 680000 nM

[1]

Compound Name

(2S)-1-[2-[[2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-methylpropanoyl]amino]acetyl]-N-[(2R,3R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL300523; BDBM50087868

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Activity

IC50 = 760000 nM

[2]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]acetyl]-N-[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL358478; BDBM50121222

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Activity

IC50 = 760000 nM

[1]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(1R)-2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL148477; BDBM50121240

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Activity

IC50 = 820000 nM

[1]

Compound Name

(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(1S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL295942; BDBM50087875

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Activity

IC50 = 820000 nM

[2]

Compound Name

(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2R,3R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL52165; BDBM50087882

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Activity

IC50 = 850000 nM

[2]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL151384; BDBM50121237

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Activity

IC50 = 850000 nM

[1]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(1S)-2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL151360; BDBM50121225

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Activity

IC50 = 970000 nM

[1]

Compound Name

(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(1R)-2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL300089; BDBM50087855

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Activity

IC50 = 970000 nM

[2]

Compound Name

N-{1-[1-[1-(2-{2-[1-(1-Carbamoyl-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylcarbamoyl)-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-methyl-propyl}-succinamic acid

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Investigative

Compound Info

Synonyms

CHEMBL3085530; BDBM50121231; Suc-Val-His-Ala-Gly-Pro-Ile-Ala-NH2; Succinyl-Val-His-Ala-Gly-Pro-Ile-Ala-NH2

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Activity

IC50 = 1000000 nM

[1]

Compound Name

(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-N-[(2R)-1-amino-1-oxopropan-2-yl]pentanediamide

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Investigative

Compound Info

Synonyms

CHEMBL424038; BDBM50087854

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Activity

IC50 = 1300000 nM

[2]

Compound Name

(2S)-2-[[(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-amino-1-oxopropan-2-yl]pentanediamide

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Investigative

Compound Info

Synonyms

CHEMBL356248; BDBM50121243

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Activity

IC50 = 1300000 nM

[1]

Compound Name

(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-(benzhydrylamino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL1790325; BDBM50369807

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Activity

IC50 = 1500000 nM

[2]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL341860; BDBM50121239

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Activity

IC50 = 1500000 nM

[1]

Compound Name

(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL297131; BDBM50087874

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Activity

IC50 = 1500000 nM

[2]

Compound Name

(2R)-2-[[(2S,3S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL1790322; BDBM50369814

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Activity

IC50 = 2000000 nM

[2]

Compound Name

2-(2-{[1-(2-{2-[2-Amino-3-(3H-imidazol-4-yl)-propionylamino]-propionylamino}-acetyl)-pyrrolidine-2-carbonyl]-amino}-3-methyl-pentanoylamino)-propionic acid

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Investigative

Compound Info

Synonyms

CHEMBL356871; His-Ala-Gly-Pro-Ile-Ala-NH2; His87-Ala-Gly-Pro-Ile-Ala92; BDBM50121224

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Activity

IC50 = 2000000 nM

[1]

Compound Name

(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL1790309; BDBM50369813

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Activity

IC50 = 2100000 nM

[2]

Compound Name

(2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL151816; BDBM50121229

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Activity

IC50 = 2100000 nM

[1]

Compound Name

(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-N-[(2S)-1-[[2-[(2R)-2-[[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]pentanediamide

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Investigative

Compound Info

Synonyms

CHEMBL150749; BDBM50121241

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Activity

IC50 = 2500000 nM

[1]

Compound Name

(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-N-[(2S)-1-[[2-[(2S)-2-[[(2R,3R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]pentanediamide

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Investigative

Compound Info

Synonyms

CHEMBL49783; BDBM50087872

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Activity

IC50 = 2500000 nM

[2]

Compound Name

(2R)-N-[(2S,3S)-1-[[(2S)-1-Amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[[(2S)-2-[3-(1H-imidazol-5-yl)propanoylamino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL148546; BDBM50121230

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Activity

IC50 = 2600000 nM

[1]

Compound Name

(2S)-N-[(2S,3S)-1-[[(2R)-1-Amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[[(2S)-2-[3-(1H-imidazol-5-yl)propanoylamino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL1790323; BDBM50369815

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Activity

IC50 = 2600000 nM

[2]

Compound Name

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Investigative

Compound Info

Synonyms

CHEMBL148657; BDBM50121223

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Activity

IC50 = 2800000 nM

[1]

Compound Name

(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL433082; BDBM50087866

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Activity

IC50 = 2800000 nM

[2]

Compound Name

4-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-N-[(2R)-1-amino-1-oxopropan-2-yl]piperidine-4-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL296587; BDBM50087870

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Activity

IC50 > 10000000 nM

[2]

Compound Name

Dah-Ala-GLy-PrIle-NH-CH2-Ph

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Investigative

Compound Info

Synonyms

CHEMBL1790318; BDBM50369818; Deaminohistidine (dihydrourocanic acid)-Ala-GLy-Pro-Ile-NH-CH2-Ph

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Activity

IC50 > 10000000 nM

[2]

Compound Name

Dav-His-Aib-Gly-Pro-Ile-NH-CH2-Ph

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Investigative

Compound Info

Synonyms

CHEMBL432322; BDBM50087857; Deaminovaline-His-Aib-Gly-Pro-Ile-NH-CH2-Ph

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Activity

IC50 > 10000000 nM

[2]

Compound Name

(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL276363; BDBM50087873

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Activity

IC50 > 10000000 nM

[2]

Click to Show/Hide the Information of All Non Binders

References

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REF 1

Molecular docking and 3D-QSAR studies on gag peptide analogue inhibitors interacting with human cyclophilin A. J Med Chem. 2002 Nov 21;45(24):5249-59.

REF 2

Design of a Gag pentapeptide analogue that binds human cyclophilin A more efficiently than the entire capsid protein: new insights for the development of novel anti-HIV-1 drugs. J Med Chem. 2000 May 4;43(9):1770-9.

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