Compile Data Set for Download or QSAR

Found 70 hits of ic50 for UniProtKB: P20839   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human IMPDH1 expressed in Escherichia coli strain BL21(DE3) after 60 mins				Bioorg Med Chem 18: 8106-11 (2010) Article DOI: 10.1016/j.bmc.2010.09.004 BindingDB Entry DOI: 10.7270/Q2Q52PWJ
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem Lett 16: 3479-83 (2006) Article DOI: 10.1016/j.bmcl.2006.03.097 BindingDB Entry DOI: 10.7270/Q2HH6JP9
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50185589 ((E)-2-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dih...) Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCCP(O)(O)=O |w:15.16| Show InChI InChI=1S/C18H26NO6P/c1-4-13-12(3)15-10-25-18(21)16(15)17(20)14(13)6-5-11(2)9-19-7-8-26(22,23)24/h5,19-20H,4,6-10H2,1-3H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem Lett 16: 3479-83 (2006) Article DOI: 10.1016/j.bmcl.2006.03.097 BindingDB Entry DOI: 10.7270/Q2HH6JP9
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50185592 ((E)-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihyd...) Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)COCP(O)(O)=O Show InChI InChI=1S/C17H23O7P/c1-4-12-11(3)14-8-24-17(19)15(14)16(18)13(12)6-5-10(2)7-23-9-25(20,21)22/h5,18H,4,6-9H2,1-3H3,(H2,20,21,22)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem Lett 16: 3479-83 (2006) Article DOI: 10.1016/j.bmcl.2006.03.097 BindingDB Entry DOI: 10.7270/Q2HH6JP9
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50112565 (CHEMBL25138 | N-tert-Butyl-N'-(3-methoxy-4-oxazol-...) Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cnco1 Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)19-15(21)14(20)18-10-5-6-11(12(7-10)22-4)13-8-17-9-23-13/h5-9H,1-4H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50123317 (7-Methoxy-6-oxazol-5-yl-2-p-tolyl-1H-quinolin-4-on...) Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)cc1 Show InChI InChI=1S/C20H16N2O3/c1-12-3-5-13(6-4-12)16-8-18(23)14-7-15(20-10-21-11-25-20)19(24-2)9-17(14)22-16/h3-11H,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I				Bioorg Med Chem Lett 13: 543-6 (2003) BindingDB Entry DOI: 10.7270/Q2SJ1JZT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50123320 (7-Methoxy-6-oxazol-5-yl-2-thiophen-3-yl-1H-quinoli...) Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccsc1 Show InChI InChI=1S/C17H12N2O3S/c1-21-16-6-14-11(4-12(16)17-7-18-9-22-17)15(20)5-13(19-14)10-2-3-23-8-10/h2-9H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I				Bioorg Med Chem Lett 13: 543-6 (2003) BindingDB Entry DOI: 10.7270/Q2SJ1JZT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50119045 (1-(3-Methoxy-4-oxazol-5-yl-phenyl)-3-m-tolyl-urea ...) Show SMILES COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1cnco1 Show InChI InChI=1S/C18H17N3O3/c1-12-4-3-5-13(8-12)20-18(22)21-14-6-7-15(16(9-14)23-2)17-10-19-11-24-17/h3-11H,1-2H3,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I				Bioorg Med Chem Lett 13: 543-6 (2003) BindingDB Entry DOI: 10.7270/Q2SJ1JZT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I				Bioorg Med Chem Lett 13: 543-6 (2003) BindingDB Entry DOI: 10.7270/Q2SJ1JZT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50185586 ((E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydr...) Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C=CC(C)CP(O)(O)=O |w:14.15| Show InChI InChI=1S/C16H21O6P/c1-4-11-10(3)13-7-22-16(18)14(13)15(17)12(11)6-5-9(2)8-23(19,20)21/h5-6,9,17H,4,7-8H2,1-3H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem Lett 16: 3479-83 (2006) Article DOI: 10.1016/j.bmcl.2006.03.097 BindingDB Entry DOI: 10.7270/Q2HH6JP9
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50123335 (2-(3,4-Dimethyl-phenyl)-7-methoxy-6-oxazol-5-yl-1H...) Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(C)c1 Show InChI InChI=1S/C21H18N2O3/c1-12-4-5-14(6-13(12)2)17-8-19(24)15-7-16(21-10-22-11-26-21)20(25-3)9-18(15)23-17/h4-11H,1-3H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I				Bioorg Med Chem Lett 13: 543-6 (2003) BindingDB Entry DOI: 10.7270/Q2SJ1JZT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50123332 (7-Methoxy-2-(4-methoxy-phenyl)-6-oxazol-5-yl-1H-qu...) Show SMILES COc1ccc(cc1)-c1cc(O)c2cc(-c3cnco3)c(OC)cc2n1 Show InChI InChI=1S/C20H16N2O4/c1-24-13-5-3-12(4-6-13)16-8-18(23)14-7-15(20-10-21-11-26-20)19(25-2)9-17(14)22-16/h3-11H,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I				Bioorg Med Chem Lett 13: 543-6 (2003) BindingDB Entry DOI: 10.7270/Q2SJ1JZT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50123324 (7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-one...) Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccccc1 Show InChI InChI=1S/C19H14N2O3/c1-23-18-9-16-13(7-14(18)19-10-20-11-24-19)17(22)8-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I				Bioorg Med Chem Lett 13: 543-6 (2003) BindingDB Entry DOI: 10.7270/Q2SJ1JZT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50054017 ((E)-6-(4,6-Dihydroxy-7-methyl-3-oxo-1,3-dihydro-is...) Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1O Show InChI InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)/b8-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human IMPDH1 expressed in Escherichia coli strain BL21(DE3) after 60 mins				Bioorg Med Chem 18: 8106-11 (2010) Article DOI: 10.1016/j.bmc.2010.09.004 BindingDB Entry DOI: 10.7270/Q2Q52PWJ
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50123321 (7-Methoxy-6-oxazol-5-yl-2-m-tolyl-1H-quinolin-4-on...) Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1cccc(C)c1 Show InChI InChI=1S/C20H16N2O3/c1-12-4-3-5-13(6-12)16-8-18(23)14-7-15(20-10-21-11-25-20)19(24-2)9-17(14)22-16/h3-11H,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I				Bioorg Med Chem Lett 13: 543-6 (2003) BindingDB Entry DOI: 10.7270/Q2SJ1JZT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50126005 (2-Benzo[b]thiophen-3-yl-6-methoxy-5-oxazol-5-yl-1H...) Show SMILES COc1cc2[nH]c(c(C=O)c2cc1-c1cnco1)-c1csc2ccccc12 Show InChI InChI=1S/C21H14N2O3S/c1-25-18-7-17-13(6-14(18)19-8-22-11-26-19)15(9-24)21(23-17)16-10-27-20-5-3-2-4-12(16)20/h2-11,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibition of 5'-inosine monophosphate dehydrogenase type I (IMPDH I)				Bioorg Med Chem Lett 13: 1273-6 (2003) BindingDB Entry DOI: 10.7270/Q2T1530J
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50112568 (CHEMBL24092 | N-tert-Butyl-N'-(3-chloro-4-oxazol-5...) Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(Cl)c1 Show InChI InChI=1S/C15H16ClN3O3/c1-15(2,3)19-14(21)13(20)18-9-4-5-10(11(16)6-9)12-7-17-8-22-12/h4-8H,1-3H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220617 (CHEMBL47928) Show SMILES Cc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cnco1 Show InChI InChI=1S/C16H19N3O3/c1-10-7-11(5-6-12(10)13-8-17-9-22-13)18-14(20)15(21)19-16(2,3)4/h5-9H,1-4H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50228085 (CHEMBL238461 | N-hydroxy-6-(4-hydroxy-6-methoxy-7-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NO Show InChI InChI=1S/C17H21NO6/c1-9(5-7-13(19)18-22)4-6-11-15(20)14-12(8-24-17(14)21)10(2)16(11)23-3/h4,20,22H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human IMPDH1 expressed in Escherichia coli strain BL21(DE3) after 60 mins				Bioorg Med Chem 18: 8106-11 (2010) Article DOI: 10.1016/j.bmc.2010.09.004 BindingDB Entry DOI: 10.7270/Q2Q52PWJ
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220681 (CHEMBL45658) Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1ocnc1C Show InChI InChI=1S/C17H21N3O4/c1-10-14(24-9-18-10)12-7-6-11(8-13(12)23-5)19-15(21)16(22)20-17(2,3)4/h6-9H,1-5H3,(H,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220682 (CHEMBL46358) Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cocn1 Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)19-15(21)14(20)18-10-5-6-11(13(7-10)22-4)12-8-23-9-17-12/h5-9H,1-4H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220679 (CHEMBL45504) Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(F)c1 Show InChI InChI=1S/C15H16FN3O3/c1-15(2,3)19-14(21)13(20)18-9-4-5-10(11(16)6-9)12-7-17-8-22-12/h4-8H,1-3H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50331099 (7-Hydroxy-6-((E)-6-hydroxy-3-methyl-hex-2-enyl)-5-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCCO Show InChI InChI=1S/C17H22O5/c1-10(5-4-8-18)6-7-12-15(19)14-13(9-22-17(14)20)11(2)16(12)21-3/h6,18-19H,4-5,7-9H2,1-3H3/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human IMPDH1 expressed in Escherichia coli strain BL21(DE3) after 60 mins				Bioorg Med Chem 18: 8106-11 (2010) Article DOI: 10.1016/j.bmc.2010.09.004 BindingDB Entry DOI: 10.7270/Q2Q52PWJ
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220673 (CHEMBL48668) Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cncs1 Show InChI InChI=1S/C16H19N3O3S/c1-16(2,3)19-15(21)14(20)18-10-5-6-11(12(7-10)22-4)13-8-17-9-23-13/h5-9H,1-4H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50010605 (6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCCCCC(O)=O Show InChI InChI=1S/C16H20O6/c1-9-11-8-22-16(20)13(11)14(19)10(15(9)21-2)6-4-3-5-7-12(17)18/h19H,3-8H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50119012 (1H-Indole-2-carboxylic acid (3-methoxy-4-oxazol-5-...) Show SMILES COc1cc(NC(=O)c2cc3ccccc3[nH]2)ccc1-c1cnco1 Show InChI InChI=1S/C19H15N3O3/c1-24-17-9-13(6-7-14(17)18-10-20-11-25-18)21-19(23)16-8-12-4-2-3-5-15(12)22-16/h2-11,22H,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of compound was evaluated against the Inosine-5'-monophosphate dehydrogenase 1				Bioorg Med Chem Lett 12: 2879-82 (2002) BindingDB Entry DOI: 10.7270/Q29886B5
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50010602 (3-[2-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihyd...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC1CC1(C)CCC(O)=O Show InChI InChI=1S/C18H22O6/c1-9-12-8-24-17(22)14(12)15(21)11(16(9)23-3)6-10-7-18(10,2)5-4-13(19)20/h10,21H,4-8H2,1-3H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50010604 (7-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC=C=C(C)CCC(O)=O |(6.21,-15.73,;6.21,-14.19,;4.88,-13.42,;3.53,-14.19,;3.53,-15.73,;2.2,-13.42,;.75,-13.91,;-.16,-12.67,;.73,-11.42,;.26,-9.96,;2.2,-11.88,;3.53,-11.11,;3.53,-9.57,;4.88,-11.88,;6.21,-11.11,;7.54,-11.86,;8.87,-11.09,;10.2,-11.86,;10.2,-13.4,;11.55,-11.09,;12.88,-11.86,;14.21,-11.11,;15.55,-11.88,;14.22,-9.57,)| Show InChI InChI=1S/C18H20O6/c1-10(7-8-14(19)20)5-4-6-12-16(21)15-13(9-24-18(15)22)11(2)17(12)23-3/h4,21H,6-9H2,1-3H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220616 (CHEMBL47830) Show SMILES CCc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cnco1 Show InChI InChI=1S/C17H21N3O3/c1-5-11-8-12(6-7-13(11)14-9-18-10-23-14)19-15(21)16(22)20-17(2,3)4/h6-10H,5H2,1-4H3,(H,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220671 (CHEMBL44696) Show SMILES CCOc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cnco1 Show InChI InChI=1S/C17H21N3O4/c1-5-23-13-8-11(6-7-12(13)14-9-18-10-24-14)19-15(21)16(22)20-17(2,3)4/h6-10H,5H2,1-4H3,(H,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50331100 (CHEMBL237760 | methyl 6-(4-hydroxy-6-methoxy-7-met...) Show SMILES COC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC Show InChI InChI=1S/C18H22O6/c1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4/h5,20H,6-9H2,1-4H3/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human IMPDH1 expressed in Escherichia coli strain BL21(DE3) after 60 mins				Bioorg Med Chem 18: 8106-11 (2010) Article DOI: 10.1016/j.bmc.2010.09.004 BindingDB Entry DOI: 10.7270/Q2Q52PWJ
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50010611 (6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C\CCC(O)=O Show InChI InChI=1S/C16H18O6/c1-9-11-8-22-16(20)13(11)14(19)10(15(9)21-2)6-4-3-5-7-12(17)18/h3-4,19H,5-8H2,1-2H3,(H,17,18)/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50010609 (7-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCCCCCC(O)=O Show InChI InChI=1S/C17H22O6/c1-10-12-9-23-17(21)14(12)15(20)11(16(10)22-2)7-5-3-4-6-8-13(18)19/h20H,3-9H2,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220672 (CHEMBL416079) Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1ccc[nH]1 Show InChI InChI=1S/C17H21N3O3/c1-17(2,3)20-16(22)15(21)19-11-7-8-12(14(10-11)23-4)13-6-5-9-18-13/h5-10,18H,1-4H3,(H,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50010612 (7-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC#CCCCC(O)=O Show InChI InChI=1S/C17H18O6/c1-10-12-9-23-17(21)14(12)15(20)11(16(10)22-2)7-5-3-4-6-8-13(18)19/h20H,4,6-9H2,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50010606 (6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC#CCCC(O)=O Show InChI InChI=1S/C16H16O6/c1-9-11-8-22-16(20)13(11)14(19)10(15(9)21-2)6-4-3-5-7-12(17)18/h19H,5-8H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50010610 (3-[2,2-Difluoro-3-(4-hydroxy-6-methoxy-7-methyl-3-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC1C(F)(F)C1(C)CCC(O)=O Show InChI InChI=1S/C18H20F2O6/c1-8-10-7-26-16(24)13(10)14(23)9(15(8)25-3)6-11-17(2,18(11,19)20)5-4-12(21)22/h11,23H,4-7H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50010603 (3-[2,2-Dibromo-3-(4-hydroxy-6-methoxy-7-methyl-3-o...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC1C(Br)(Br)C1(C)CCC(O)=O Show InChI InChI=1S/C18H20Br2O6/c1-8-10-7-26-16(24)13(10)14(23)9(15(8)25-3)6-11-17(2,18(11,19)20)5-4-12(21)22/h11,23H,4-7H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50331098 (6-(4-acetoxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroi...) Show SMILES COc1c(C)c2COC(=O)c2c(OC(C)=O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C19H22O7/c1-10(6-8-15(21)22)5-7-13-17(24-4)11(2)14-9-25-19(23)16(14)18(13)26-12(3)20/h5H,6-9H2,1-4H3,(H,21,22)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human IMPDH1 expressed in Escherichia coli strain BL21(DE3) after 60 mins				Bioorg Med Chem 18: 8106-11 (2010) Article DOI: 10.1016/j.bmc.2010.09.004 BindingDB Entry DOI: 10.7270/Q2Q52PWJ
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220615 (CHEMBL47067) Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(O)c1 Show InChI InChI=1S/C15H17N3O4/c1-15(2,3)18-14(21)13(20)17-9-4-5-10(11(19)6-9)12-7-16-8-22-12/h4-8,19H,1-3H3,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220618 (CHEMBL45771) Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1ccco1 Show InChI InChI=1S/C17H20N2O4/c1-17(2,3)19-16(21)15(20)18-11-7-8-12(14(10-11)22-4)13-6-5-9-23-13/h5-10H,1-4H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50010608 (3-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CSCCC(O)=O Show InChI InChI=1S/C14H16O6S/c1-7-8-5-20-14(18)11(8)12(17)9(13(7)19-2)6-21-4-3-10(15)16/h17H,3-6H2,1-2H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase				J Med Chem 33: 833-8 (1990) BindingDB Entry DOI: 10.7270/Q2TM7930
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50112570 (CHEMBL279957 | N-tert-Butyl-N'-[4-(4-methyl-oxazol...) Show SMILES Cc1ncoc1-c1ccc(NC(=O)C(=O)NC(C)(C)C)cc1 Show InChI InChI=1S/C16H19N3O3/c1-10-13(22-9-17-10)11-5-7-12(8-6-11)18-14(20)15(21)19-16(2,3)4/h5-9H,1-4H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220683 (CHEMBL432699) Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1nc[nH]n1 Show InChI InChI=1S/C15H19N5O3/c1-15(2,3)19-14(22)13(21)18-9-5-6-10(11(7-9)23-4)12-16-8-17-20-12/h5-8H,1-4H3,(H,18,21)(H,19,22)(H,16,17,20)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220620 (CHEMBL297980) Show SMILES COc1ccc(NC(=O)C(=O)NC(C)(C)C)cc1-c1cnco1 Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)19-15(21)14(20)18-10-5-6-12(22-4)11(7-10)13-8-17-9-23-13/h5-9H,1-4H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50220675 (CHEMBL47362) Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(c1)C(F)(F)F Show InChI InChI=1S/C16H16F3N3O3/c1-15(2,3)22-14(24)13(23)21-9-4-5-10(12-7-20-8-25-12)11(6-9)16(17,18)19/h4-8H,1-3H3,(H,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50127715 (3-Methoxy-4-oxazol-5-yl-phenylamine | 3-methoxy-4-...) Show SMILES COc1cc(N)ccc1-c1cnco1 Show InChI InChI=1S/C10H10N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-6H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 1/2 (Homo sapiens (Human))	BDBM50112571 (CHEMBL27985 | N-tert-Butyl-N'-(4-oxazol-5-yl-pheny...) Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(cc1)-c1cnco1 Show InChI InChI=1S/C15H17N3O3/c1-15(2,3)18-14(20)13(19)17-11-6-4-10(5-7-11)12-8-16-9-21-12/h4-9H,1-3H3,(H,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair

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