Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86573 | Target Info | |||
| Target Name | HUMAN inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) | ||||
| Synonyms |
IMPDH-II; IMPDH 2; IMPD2; IMPD 2; IMP dehydrogenase 2
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| Gene Name | IMPDH2 | ||||
| Biochemical Class | CH-OH donor oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 23 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Adenosine
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Approved | Compound Info | ||
| Synonyms |
Adenosine, homopolymer; Adenine 9-beta-D-arabinofuranoside; Adenine-9-beta-D-ribofuranoside; Beta-D-Ribofuranoside, adenine-9; EA6C60C2-6AFB-4264-A2F0-541373DB950E; (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; 6-Amino-9beta-D-ribofuranosyl-9H-purine; 9-(beta-D-Arabinofuranosyl)adenine; 9-beta-D-Ribofuranosidoadenine; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; 9-beta-D-Ribofuranosyladenine; 9beta-D-Ribofuranosyladenine
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
(E)-6-(2,5-Dimethoxy-3,4-dimethyl-phenyl)-4-methyl-hex-4-enoic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL335210; BDBM50054038; ZINC13759757
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
N-(4-Chlorophenyl)-2-phenoxypropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL561640; TimTec1_006358; Oprea1_760846; Oprea1_796355; SCHEMBL10175988; HMS1552A22; BDBM50294184; STK099703; AKOS000646806; AKOS016283268; MCULE-9707079380; N-(4-chlorophenyl)-2-phenoxypropanamide, A; ST50012820; AG-690/15442367; N-(4-chlorophenyl)-2-phenoxypropanamide, Compound A
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| Activity |
EC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
N-(4-Methoxyphenyl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)acetamide
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Investigative | Compound Info | ||
| Synonyms |
ChemDiv2_003770; Oprea1_300621; CHEMBL1957232; SCHEMBL10175974; BDBM81423; HMS1379L08; ZINC3899852; MCULE-2515829006; IDI1_002485; N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetamide
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
(E)-6-(6-Hydroxy-2-methoxy-3,4-dimethyl-phenyl)-4-methyl-hex-4-enoic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL423888; BDBM50054036; (E)-6-(6-Hydroxy-3,4-dimethyl-2-methoxyphenyl)-4-methyl-4-hexenoic acid
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| Activity |
IC50 = 51800 nM
|
[2] | |||
| Compound Name |
(E)-6-(2-Methoxy-3,4-dimethyl-5-methylsulfanyl-phenyl)-4-methyl-hex-4-enoic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL336084; BDBM50054005
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| Activity |
IC50 = 52300 nM
|
[2] | |||
| Compound Name |
(E)-6-[2-Hydroxy-6-methoxy-3-(methoxyimino-methyl)-4,5-dimethyl-phenyl]-4-methyl-hex-4-enoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL134988; BDBM50054050
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| Activity |
IC50 = 52800 nM
|
[2] | |||
| Compound Name |
2-[5-O-[(5'-Adenylyloxy)phosphonyl]-beta-D-ribofuranosyl]-4-carbamoylfuran
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3143998
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| Activity |
Ki = 57900 nM
|
[5] | |||
| Compound Name |
7-(Benzo[d]oxazol-2-ylamino)-1-methyl-1H-indole-3-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL206945; BDBM50182933
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| Activity |
IC50 = 58400 nM
|
[6] | |||
| Compound Name |
6-(Benzyloxy)-1H-indole-3-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL377680; BDBM50182924; 6-phenylmethoxy-1H-indole-3-carbonitrile
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| Activity |
IC50 = 71800 nM
|
[6] | |||
| Compound Name |
(4E)-6-(4,6-Dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL437376; ALBB-031479; BBL035127; BDBM50331101; MFCD22375170; STL426069; ZINC28824028; AKOS016374092; VS-12899
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| Activity |
IC50 = 72000 nM
|
[7] | |||
| Compound Name |
Penicacid C
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2017526; BDBM50381087
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| Activity |
IC50 = 73240 nM
|
[8] | |||
| Compound Name |
(E)-6-(6-Amino-2,3,4-trimethyl-phenyl)-4-methyl-hex-4-enoic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL132417; BDBM50054049; ZINC13759770; (E)-6-(2,3,4-Trimethyl-6-aminophenyl)-4-methyl-4-hexenoic acid
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| Activity |
IC50 = 90800 nM
|
[2] | |||
| Compound Name |
(E)-6-(4-Hydroxy-6-methoxy-2,7-dimethyl-3-oxo-2,3-dihydro-1H-isoindol-5-yl)-4-methyl-hex-4-enoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL134458; BDBM50053990
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(E)-6-(5-Hydroxy-2-methoxy-3,4-dimethyl-phenyl)-4-methyl-hex-4-enoic Acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL337707; BDBM50053991; (E)-6-(5-Hydroxy-3,4-dimethyl-2-methoxyphenyl)-4-methyl-4-hexenoic acid
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Adenosine 5''-methylenebis(sulfonamide)
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL476563; BDBM50263249
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|
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
6-(2-Methoxy-3,4-dimethyl-5-methylsulfenyloxy-phenyl)-4-methyl-hex-4-enoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL135123; BDBM50054001
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(E)-6-(7-Carbamoyl-4-hydroxy-6-methoxy-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL132847; BDBM50054044
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
6-(2,4-Dimethoxy-3-methyl-5-(oxazol-5-yl)phenyl)-4-methylhex-4-enoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL487564; BDBM50275686
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|
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| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
(E)-6-(6-Hydroxy-2,3,4-trimethyl-phenyl)-4-methyl-hex-4-enoic Acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL133826; BDBM50054037; ZINC27417072
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(E)-6-(7-Cyano-4-hydroxy-6-methoxy-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL134132; BDBM50054010
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
[(2S,3R,4S)-3,4-Dihydroxy-5-[2-(hydroxymethyl)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL607919; BDBM50369239
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|
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| Activity |
IC50 = 132000 nM
|
[10] | |||
| Compound Name |
[(2S,3S,4R,5S)-5-(6-Aminopurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[[[(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl]phosphinic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3144059
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| Activity |
IC50 = 175000 nM
|
[11] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 6 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
[(2S,3R,4S)-3,4-Dihydroxy-5-[6-oxo-2-(2-phenylethyl)-1H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL607940; BDBM50369233
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|
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| Activity |
IC50 = 460000 nM
|
[10] | |||
| Compound Name |
[(2S,3R,4S)-3,4-Dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL610157; BDBM50225283; BDBM50367210
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|
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| Activity |
IC50 > 1000000 nM
|
[10] | |||
| Compound Name |
[(2S,3R,4S)-3,4-Dihydroxy-5-[6-oxo-2-(trifluoromethyl)-1H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL610231; BDBM50369235
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| Activity |
IC50 > 1000000 nM
|
[10] | |||
| Compound Name |
[(2S,3R,4S)-5-[2-(Difluoromethyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL607922; BDBM50369238
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| Activity |
IC50 > 1000000 nM
|
[10] | |||
| Compound Name |
1-(3-Cyano-1H-indol-6-yl)-3-p-tolyl-urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL118306; BDBM50133737; 6-[3-(4-Methylphenyl)ureido]-1H-indole-3-carbonitrile
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| Activity |
IC50 > 5000000 nM
|
[12] | |||
| Compound Name |
1-(3-Cyano-1-methyl-1H-indol-6-yl)-3-o-tolyl-urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL118951; BDBM50133713; 1-Methyl-6-[3-(2-methylphenyl)ureido]-1H-indole-3-carbonitrile
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| Activity |
IC50 > 10000000 nM
|
[12] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Bis(sulfonamide) isosters of mycophenolic adenine dinucleotide analogues: inhibition of inosine monophosphate dehydrogenase. Bioorg Med Chem. 2008 Aug 1;16(15):7462-9. | ||||
| REF 2 | Structure-activity relationships for inhibition of inosine monophosphate dehydrogenase by nuclear variants of mycophenolic acid. J Med Chem. 1996 Oct 11;39(21):4181-96. | ||||
| REF 3 | Triazole inhibitors of Cryptosporidium parvum inosine 5'-monophosphate dehydrogenase. J Med Chem. 2009 Aug 13;52(15):4623-30. | ||||
| REF 4 | Structure-activity relationship study of selective benzimidazole-based inhibitors of Cryptosporidium parvum IMPDH. Bioorg Med Chem Lett. 2012 Mar 1;22(5):1985-8. | ||||
| REF 5 | Isosteric analogues of nicotinamide adenine dinucleotide derived from furanfurin, thiophenfurin, and selenophenfurin as mammalian inosine monophosphate dehydrogenase (type I and II) inhibitors. J Med Chem. 1998 May 7;41(10):1702-7. | ||||
| REF 6 | Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett. 2006 May 1;16(9):2539-42. | ||||
| REF 7 | Structure-activity relationships for inhibition of inosine monophosphate dehydrogenase and differentiation induction of K562 cells among the mycoph... Bioorg Med Chem. 2010 Nov 15;18(22):8106-11. | ||||
| REF 8 | Penicacids A-C, three new mycophenolic acid derivatives and immunosuppressive activities from the marine-derived fungus Penicillium sp. SOF07. Bioorg Med Chem Lett. 2012 May 1;22(9):3332-5. | ||||
| REF 9 | Mycophenolic acid analogs with a modified metabolic profile. Bioorg Med Chem. 2008 Oct 15;16(20):9340-5. | ||||
| REF 10 | Rationally designed inhibitors of inosine monophosphate dehydrogenase. J Med Chem. 1997 Jan 3;40(1):4-8. | ||||
| REF 11 | Synthesis of nonhydrolyzable analogues of thiazole-4-carboxamide and benzamide adenine dinucleotide containing fluorine atom at the C2' of adenine nucleoside: induction of K562 differentiation and inosine monophosphate dehydrogenase inhibitory activity. J Med Chem. 1997 Aug 1;40(16):2533-8. | ||||
| REF 12 | 3-cyanoindole-based inhibitors of inosine monophosphate dehydrogenase: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett. 2003 Oct 20;13(20):3557-60. | ||||
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