Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T52790 | Target Info | |||
| Target Name | Substance-K receptor (TACR2) | ||||
| Synonyms |
Tachykinin receptor 2; Tachykinin neurokinin 2 receptor; TACR2; SKR; Neurokinin A receptor; NK-2R; NK-2 receptor
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| Target Type | Clinical trial Target | ||||
| Gene Name | TACR2 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 9 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(2R,5S,8R)-5,8-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-3,6,9,15,20-pentaoxo-1,4,7,10,14-pentazacycloicos-10-yl]acetyl]amino]-4-methylpentanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL302349; BDBM50030211
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(6R,9S,12R)-6,9-dibenzyl-12-[3-(diaminomethylideneamino)propyl]-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicos-4-yl]acetyl]amino]-4-methylpentanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL304752; BDBM50030214
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(2R,5S,8R)-5,8-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-3,6,9,15,18-pentaoxo-1,4,7,10,14-pentazacyclooctadec-10-yl]acetyl]amino]-4-methylpentanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL421485; BDBM50030212
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(2R,5S,8R)-5,8-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-3,6,9,15,19-pentaoxo-1,4,7,10,14-pentazacyclononadec-10-yl]acetyl]amino]-4-methylpentanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL303222; BDBM50030213
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(3R,15S,21S)-3-(1H-Indol-3-ylmethyl)-9-[(4-methoxyphenyl)methyl]-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2370511; BDBM50030091
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| Activity |
Ki = 73000 nM
|
[2] | |||
| Compound Name |
Methyl 3-[[(2S)-1-[benzyl(methyl)amino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-6-(phenylmethoxycarbonylamino)-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916635; BDBM50357013
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| Activity |
Ki = 100000 nM
|
[3] | |||
| Compound Name |
(3R,9S,15S,21S)-9-[(4-Hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2370516; BDBM50030098
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| Activity |
Ki ~ 100000 nM
|
[2] | |||
| Compound Name |
(3R,9S,15S,21S)-3-(1H-Indol-3-ylmethyl)-9-(1H-indol-5-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2370512; BDBM50030090
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|
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| Activity |
Ki ~ 100000 nM
|
[2] | |||
| Compound Name |
(3R,15S,21S)-9-[Hydroxy-(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2370508; BDBM50030097
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| Activity |
Ki ~ 100000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 3 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
[3,5-Bis(trifluoromethyl)phenyl]methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoyl]amino]propanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916636; BDBM50357014
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| Activity |
Ki = 250000 nM
|
[3] | |||
| Compound Name |
Methyl 6-acetamido-3-[[(2S)-1-[benzyl(methyl)amino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916634; BDBM50357012
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|
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| Activity |
Ki = 398000 nM
|
[3] | |||
| Compound Name |
Methyl 6-acetamido-3-[[(2S)-1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916633; BDBM50357011
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| Activity |
Ki > 3000000 nM
|
[3] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Comparison of the conformation of active and nonactive backbone cyclic analogs of substance P as a tool to elucidate features of the bioactive conformation: NMR and molecular dynamics in DMSO and water. J Med Chem. 1994 Jul 8;37(14):2145-52. | ||||
| REF 2 | Structure determination, pharmacological evaluation, and structure-activity studies of a new cyclic peptide substance P antagonist containing the new amino acid 3-prenyl-beta-hydroxytyrosine, isolated from Aspergillus flavipes. J Med Chem. 1994 Feb 4;37(3):356-63. | ||||
| REF 3 | Recent progress in synthesis and bioactivity studies of indolizines. Eur J Med Chem. 2011 Nov;46(11):5237-57. | ||||
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