Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T20514 | Target Info | |||
| Target Name | Delta-aminolevulinic acid dehydratase (ALAD) | ||||
| Synonyms |
Porphobilinogen synthase; Delta-aminolevulinate dehydratase; ALADH; ALAD
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| Target Type | Successful Target | ||||
| Gene Name | ALAD | ||||
| Biochemical Class | Alpha-carbonic anhydrase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 7 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-(4-Chlorophenyl)thiophene-2-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
4-(p-chlorophenyl)-thiophene-2-carboxylic acid; CHEMBL2430564; 2-Thiophenecarboxylicacid, 4-(4-chlorophenyl)-; Peakdale1_000836; SCHEMBL2652069; CTK1C1415; HMS520F22; DTXSID30370960; ZINC154328; 2228AE; BDBM50441097; MFCD01319431; SBB099007; AKOS015850241; VZ26272; AS-37307; AB0075739; 1,4-Benzodioxane-6-boronicacid,pinacolester; FT-0644558; 4-(4-Chlorophenyl)-2-thiophenecarboxylic acid; A-2303; 4-(4-chloro-phenyl)-thiophene-2-carboxylic acid; 2-Thiophenecarboxylic acid, 4-(4-chlorophenyl)-; SR-01000387688; SR-01000387688-1; 4-(4-Chlorophenyl)thiophene-2-carboxylic acid, AldrichCPR
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| Activity |
IC50 = 85300 nM
|
[1] | |||
| Compound Name |
4-(4-Bromophenyl)thiophene-2-carboxylic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2430563; 2-Thiophenecarboxylic acid, 4-(4-bromophenyl)-; 4-(4-Bromophenyl)thiophene-2-carboxylicacid; 2-Thiophenecarboxylicacid, 4-(4-bromophenyl)-; SCHEMBL6142121; CTK1A0042; DTXSID30373754; ZINC2513567; 8610AD; BDBM50441098; MFCD03407986; AKOS015893232; FT-0684461; 4-(4-Bromophenyl)thiophene-2-carboxylic acid, 97%; J-016279
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| Activity |
IC50 = 99700 nM
|
[1] | |||
| Compound Name |
1-[(4-Fluorophenyl)methyl]-2-oxo-3-(pyrimidin-2-ylmethyl)benzimidazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2430571; BDBM50441101; MCULE-7127833620
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| Activity |
IC50 = 119000 nM
|
[1] | |||
| Compound Name |
1-[[2-(Trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3287365; SCHEMBL13983224; BDBM50017189
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| Activity |
IC50 = 145000 nM
|
[2] | |||
| Compound Name |
1-(3-Methoxy-benzyl)-1H-benzoimidazole-5-c arboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3287368; BDBM50017192; AKOS009226653; BB 0239099
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| Activity |
IC50 = 156000 nM
|
[2] | |||
| Compound Name |
1-[[4-(Trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3287364; BDBM50017188
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| Activity |
IC50 = 173000 nM
|
[2] | |||
| Compound Name |
1-[[3-(Trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3287359; BDBM50017183
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| Activity |
IC50 = 197000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 13 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
1-Benzyl-1,3-benzodiazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
1-benzyl-1H-1,3-benzodiazole-5-carboxylic acid; CHEMBL3287366; 1-benzyl-1H-benzimidazole-5-carboxylic acid; 1-benzylbenzimidazole-5-carboxylic acid; CTK7I8536; BDBM50017190; ZINC21516605; AKOS002662528; MCULE-5560876784; NE61295; BB 0239094; V4912; EN300-59873; 1-Benzyl-1H-benzoimidazole-5-carboxylic acid; F2158-0645; Z354397860
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| Activity |
IC50 = 213000 nM
|
[2] | |||
| Compound Name |
1-[(3-Methylphenyl)methyl]benzimidazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3287367; BDBM50017191
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| Activity |
IC50 = 222000 nM
|
[2] | |||
| Compound Name |
2-[3-(Trifluoromethyl)benzoyl]-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2430557; Peakdale1_002802; HMS525P08; BDBM50017195; SR-01000388073; SR-01000388073-1
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| Activity |
IC50 = 500000 nM
|
[2] | |||
| Compound Name |
1-Methyl-1H-benzimidazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
1-methylbenzimidazole-5-carboxylic acid; 1-methyl-1H-benzo[d]imidazole-5-carboxylic acid; 1H-Benzimidazole-5-carboxylic acid, 1-methyl-; CHEMBL3287369; MFCD06809665; 1H-Benzimidazole-5-carboxylicacid, 1-methyl-; 1-methyl-1H-1,3-benzodiazole-5-carboxylic acid; 1-methyl-5-benzimidazolecarboxylic acid; 1-Methyl-1H-1,3-benzimidazole-5-carboxylic acid; SCHEMBL599310; 2-CHROMANECARBONYLCHLORIDE; CTK1G9051; KS-00000CWM; DTXSID20406742; ZINC4343361; ANW-56273; BBL022599; BDBM50017193; SBB013682; STK667575; 1-methylbenzimidazol-5-carboxylic acid; 1-Methylbenzimidazole-5-carboxylicAcid; AKOS000104227; CS-W003360; KD-0764; MCULE-6477128827; VI10047; AK-27289; SY024933; AB0041595; BB 0217051; FT-0646295; ST50570632; Y9373; 1-Methyl-1H-benzoimidazole-5-carboxylic acid; C-4428; A815456; A815457; A829621; 1H-1,3-Benzimidazole-5-carboxylic acid, 1-methyl-; J-504851; J-504858; F2158-0653
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| Activity |
IC50 = 500000 nM
|
[2] | |||
| Compound Name |
2-[2-(Thiophene-2-carbonylamino)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3287362; BDBM50017186
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| Activity |
IC50 = 500000 nM
|
[2] | |||
| Compound Name |
2-[2-(Thiophene-2-carbonylamino)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3287361; BDBM50017185
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| Activity |
IC50 = 500000 nM
|
[2] | |||
| Compound Name |
2-[2-(Thiophene-2-carbonylamino)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3287360; BDBM50017184
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| Activity |
IC50 = 500000 nM
|
[2] | |||
| Compound Name |
2-[2-(Thiophene-2-carbonylamino)ethyl]-3H-benzimidazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3287358; BDBM50017182
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| Activity |
IC50 = 500000 nM
|
[2] | |||
| Compound Name |
1H-Benzimidazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
5-Benzimidazolecarboxylic acid; 1H-benzo[d]imidazole-5-carboxylic acid; Benzimidazole-5-carboxylic acid; 1H-benzimidazole-6-carboxylic acid; 3H-benzimidazole-5-carboxylic acid; 5-Carboxybenzimidazole; 3H-benzo[d]imidazole-5-carboxylic acid; MFCD00011555; 1H-1,3-Benzodiazole-5-Carboxylic Acid; 1H-Benzimidazole-5-carboxylicacid; 5-Benzimidazole carboxylic acid; CHEMBL1774061; 1H-Benzimadazole-5-carboxylic acid; 1H-Benzoimidazole-5-carboxylic acid; 1H-1,3-benzodiazole-6-carboxylic acid; 1H-Benzimidazole-5-carboxylic acid, 98%; 1H-Benzo[d]imidazole-6-carboxylic acid; PubChem19532; ACMC-20a0do; ACMC-1BT5V; SCHEMBL5946; 5-BenzimidazolecarboxylicAcid; Oprea1_100412; Oprea1_327730; KSC376O7R; Benzimidazol-5-carboxylic acid; 5-benzimidazole-carboxylic acid; BEN626; 5-benzoimidazole carboxylic acid; COYPLDIXZODDDL-UHFFFAOYSA-; CTK0H9209; DTXSID70332648; HMS1757K02; ACN-P001088; ACN-S004061; ACT04544; ALBB-008407; KS-00000CB8; STR02626; ZINC5234667; 1-h-benzimidazole-5-carboxylic acid; 3H-benzoimidazole-5-carboxylic acid; 5-Benzimidazolecarboxylic acid, 96%; ANW-21733; ANW-51418; BBL001413; BDBM50017194; CL3437; HTS001760; SBB006747; STK325324; 1H-Benzimidazole-5-carboxylic acid #; 1H-benzo[d]imidazole-5carboxylic acid; 3H-benzo[d]imidazole-5-carboxylicacid; AKOS000119390; AKOS000267818; AB01058; AC-2664; AS07120; BENZIMIDAZOLE-6-CARBOXYLIC ACID; CS-W002064; DS-0595; FS-2574; LS40098; MCULE-2272420776; VI10060; 1H-1,3-benzimidazole-6-carboxylic acid; NCGC00337578-01; AK-27294; BR-27294; SC-22504; ST086491; SY002468; 1H-BENZOIMIDAZOLE-6-CARBOXYLIC ACID; AB0005299; DB-011857; A3471; AM20050363; BB 0256530; BB 0258867; FT-0620037; R6676; W3427; 1H-benzimidazole-6-carboxylic acid, AldrichCPR; B-7347; AB00443575-03; W-201426; Z56922116; F1791-0906
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| Activity |
IC50 = 511000 nM
|
[2] | |||
| Compound Name |
2-[2-(Thiophene-2-carbonylamino)ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3287363; BDBM50017187
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|
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| Activity |
IC50 = 637000 nM
|
[2] | |||
| Compound Name |
1-[3-(Trifluoromethyl)benzyl]-2-[2-[(2-thienylcarbonyl)amino]ethyl]-1H-benzoimidazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2430574; BDBM50441099
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| Activity |
IC50 = 739000 nM
|
[2] | |||
| Compound Name |
1-(4-Fluorobenzyl)-2-oxo-3-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-benzimidazole-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2430572; BDBM50441100; ZINC55242570; MCULE-2972957817
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| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
5-Methyl-5-aminolevulinic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407927; 4-Oxo-5-aminohexanoic acid; SCHEMBL1986431; CHEMBL3546230; BDBM50437871; AKOS006342531
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| Activity |
Ki = 200000000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | New chemotypes for wALADin1-like inhibitors of delta-aminolevulinic acid dehydratase from Wolbachia endobacteria. Bioorg Med Chem Lett. 2013 Oct 15;23(20):5558-62. | ||||
| REF 2 | wALADin benzimidazoles differentially modulate the function of porphobilinogen synthase orthologs. J Med Chem. 2014 Mar 27;57(6):2498-510. | ||||
| REF 3 | Synthesis and in vitro cellular uptake of 11C-labeled 5-aminolevulinic acid derivative to estimate the induced cellular accumulation of protoporphyrin IX. Bioorg Med Chem Lett. 2013 Aug 15;23(16):4567-70. | ||||
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