Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50046429   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111796 (CHEMBL3605384) Show SMILES O=C1NC(=S)N\C1=C\c1ccc(=O)[nH]c1 Show InChI InChI=1S/C27H38N4O8/c28-13-20-23(34)24(35)26(38-20)39-21(14-29-17-8-6-16(7-9-17)15-4-2-1-3-5-15)19-12-18(32)25(37-19)31-11-10-22(33)30-27(31)36/h6-11,15,18-21,23-26,29,32,34-35H,1-5,12-14,28H2,(H,30,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111799 (CHEMBL3605387) Show SMILES CN1C(=S)N\C(=C\c2ccc(=O)n(C)c2)C1=O Show InChI InChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-10,12,14-15,19-20,26-29,31,35,47-49H,11,13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111794 (CHEMBL3605382) Show SMILES CN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O Show InChI InChI=1S/C21H32N6O8/c22-9-14-17(30)18(31)20(34-14)35-15(10-23-3-1-5-26-7-4-24-11-26)13-8-12(28)19(33-13)27-6-2-16(29)25-21(27)32/h2,4,6-7,11-15,17-20,23,28,30-31H,1,3,5,8-10,22H2,(H,25,29,32)/t12-,13+,14-,15+,17-,18-,19-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111794 (CHEMBL3605382) Show SMILES CN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O Show InChI InChI=1S/C21H32N6O8/c22-9-14-17(30)18(31)20(34-14)35-15(10-23-3-1-5-26-7-4-24-11-26)13-8-12(28)19(33-13)27-6-2-16(29)25-21(27)32/h2,4,6-7,11-15,17-20,23,28,30-31H,1,3,5,8-10,22H2,(H,25,29,32)/t12-,13+,14-,15+,17-,18-,19-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132C mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111796 (CHEMBL3605384) Show SMILES O=C1NC(=S)N\C1=C\c1ccc(=O)[nH]c1 Show InChI InChI=1S/C27H38N4O8/c28-13-20-23(34)24(35)26(38-20)39-21(14-29-17-8-6-16(7-9-17)15-4-2-1-3-5-15)19-12-18(32)25(37-19)31-11-10-22(33)30-27(31)36/h6-11,15,18-21,23-26,29,32,34-35H,1-5,12-14,28H2,(H,30,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132C mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111976 (CHEMBL3605396) Show SMILES COc1cc(\C=C2\NC(=S)N(C)C2=O)ccn1 Show InChI InChI=1S/C11H11N3O2S/c1-14-10(15)8(13-11(14)17)5-7-3-4-12-9(6-7)16-2/h3-6H,1-2H3,(H,13,17)/b8-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50112050 (CHEMBL3605402) Show SMILES O=C1NC(=S)S\C1=C\c1ccc(=O)[nH]c1 Show InChI InChI=1S/C9H6N2O2S2/c12-7-2-1-5(4-10-7)3-6-8(13)11-9(14)15-6/h1-4H,(H,10,12)(H,11,13,14)/b6-3+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111981 (CHEMBL3605400) Show SMILES CN1C(=S)N\C(=C\c2ccc(o2)-c2ccc(F)c(F)c2)C1=O Show InChI InChI=1S/C15H10F2N2O2S/c1-19-14(20)12(18-15(19)22)7-9-3-5-13(21-9)8-2-4-10(16)11(17)6-8/h2-7H,1H3,(H,18,22)/b12-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111792 (CHEMBL3605380) Show SMILES CCN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O Show InChI InChI=1S/C20H32N4O8/c21-9-13-16(27)17(28)19(31-13)32-14(10-23-5-2-1-3-6-23)12-8-11(25)18(30-12)24-7-4-15(26)22-20(24)29/h4,7,11-14,16-19,25,27-28H,1-3,5-6,8-10,21H2,(H,22,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111801 (CHEMBL3605389) Show SMILES COc1ccc(\C=C2\NC(=S)N(C)C2=O)c[n+]1[O-] Show InChI InChI=1S/C28H33N5O10/c29-13-20-23(36)24(37)26(42-20)43-21(19-12-18(34)25(41-19)33-11-10-22(35)32-28(33)39)14-30-27(38)31-15-6-8-17(9-7-15)40-16-4-2-1-3-5-16/h1-11,18-21,23-26,34,36-37H,12-14,29H2,(H2,30,31,38)(H,32,35,39)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111800 (CHEMBL3605388) Show SMILES CN1C(=S)N\C(=C\c2ccc(=O)n(Cc3ccccc3)c2)C1=O Show InChI InChI=1S/C22H37N5O9/c23-11-15-18(30)19(31)21(35-15)36-16(12-24-3-1-4-26-6-8-33-9-7-26)14-10-13(28)20(34-14)27-5-2-17(29)25-22(27)32/h2,5,13-16,18-21,24,28,30-31H,1,3-4,6-12,23H2,(H,25,29,32)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111790 (CHEMBL3605378) Show SMILES O=C1N(Cc2ccccc2)C(=S)N\C1=C\c1ccc(=O)[nH]c1 Show InChI InChI=1S/C22H38N4O8/c1-2-3-4-5-6-8-24-12-16(34-21-19(30)18(29)15(11-23)33-21)14-10-13(27)20(32-14)26-9-7-17(28)25-22(26)31/h7,9,13-16,18-21,24,27,29-30H,2-6,8,10-12,23H2,1H3,(H,25,28,31)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111980 (CHEMBL3605399) Show SMILES O=C1NC(=S)N\C1=C\c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C15H11N3OS/c19-14-13(17-15(20)18-14)9-10-6-7-16-12(8-10)11-4-2-1-3-5-11/h1-9H,(H2,17,18,19,20)/b13-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111803 (CHEMBL3605390) Show SMILES CN1C(=S)N\C(=C\c2ccc(=O)n(O)c2)C1=O Show InChI InChI=1S/C10H9N3O3S/c1-12-9(15)7(11-10(12)17)4-6-2-3-8(14)13(16)5-6/h2-5,16H,1H3,(H,11,17)/b7-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111795 (CHEMBL3605383) Show SMILES COc1ccc(\C=C2\NC(=S)NC2=O)cn1 Show InChI InChI=1S/C22H27BrN4O9/c23-11-3-1-10(2-4-11)19(32)25-9-15(36-21-18(31)17(30)14(8-24)35-21)13-7-12(28)20(34-13)27-6-5-16(29)26-22(27)33/h1-6,12-15,17-18,20-21,28,30-31H,7-9,24H2,(H,25,32)(H,26,29,33)/t12-,13+,14-,15+,17-,18-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111794 (CHEMBL3605382) Show SMILES CN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O Show InChI InChI=1S/C21H32N6O8/c22-9-14-17(30)18(31)20(34-14)35-15(10-23-3-1-5-26-7-4-24-11-26)13-8-12(28)19(33-13)27-6-2-16(29)25-21(27)32/h2,4,6-7,11-15,17-20,23,28,30-31H,1,3,5,8-10,22H2,(H,25,29,32)/t12-,13+,14-,15+,17-,18-,19-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type IDH1 expressed in Escherichia coli using sodium (D)-isocitrate as substrate assessed as production of NADPH				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111791 (CHEMBL3605379) Show SMILES CCN1C(=S)N\C(=C\c2ccc(OC)nc2)C1=O Show InChI InChI=1S/C23H40N4O8/c1-2-3-4-5-6-7-9-25-13-17(35-22-20(31)19(30)16(12-24)34-22)15-11-14(28)21(33-15)27-10-8-18(29)26-23(27)32/h8,10,14-17,19-22,25,28,30-31H,2-7,9,11-13,24H2,1H3,(H,26,29,32)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111978 (CHEMBL3605397) Show SMILES CN1C(=S)N\C(=C\c2cc[nH]c(=O)c2)C1=O Show InChI InChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)4-6-2-3-11-8(14)5-6/h2-5H,1H3,(H,11,14)(H,12,16)/b7-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111796 (CHEMBL3605384) Show SMILES O=C1NC(=S)N\C1=C\c1ccc(=O)[nH]c1 Show InChI InChI=1S/C27H38N4O8/c28-13-20-23(34)24(35)26(38-20)39-21(14-29-17-8-6-16(7-9-17)15-4-2-1-3-5-15)19-12-18(32)25(37-19)31-11-10-22(33)30-27(31)36/h6-11,15,18-21,23-26,29,32,34-35H,1-5,12-14,28H2,(H,30,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type IDH1 expressed in Escherichia coli using sodium (D)-isocitrate as substrate assessed as production of NADPH				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111974 (CHEMBL3605394) Show SMILES CN1C(=S)N\C(=C\c2cccc(=O)[nH]2)C1=O Show InChI InChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)5-6-3-2-4-8(14)11-6/h2-5H,1H3,(H,11,14)(H,12,16)/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111800 (CHEMBL3605388) Show SMILES CN1C(=S)N\C(=C\c2ccc(=O)n(Cc3ccccc3)c2)C1=O Show InChI InChI=1S/C22H37N5O9/c23-11-15-18(30)19(31)21(35-15)36-16(12-24-3-1-4-26-6-8-33-9-7-26)14-10-13(28)20(34-14)27-5-2-17(29)25-22(27)32/h2,5,13-16,18-21,24,28,30-31H,1,3-4,6-12,23H2,(H,25,29,32)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132C mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111787 (CHEMBL3605375) Show SMILES Oc1ccc(CN2C(=S)N\C(=C\c3ccc(O)c(O)c3)C2=O)cc1 Show InChI InChI=1S/C20H32N4O9/c21-7-13-16(27)17(28)19(32-13)33-14(9-22-8-10-2-1-5-30-10)12-6-11(25)18(31-12)24-4-3-15(26)23-20(24)29/h3-4,10-14,16-19,22,25,27-28H,1-2,5-9,21H2,(H,23,26,29)/t10?,11-,12+,13-,14+,16-,17-,18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50112124 (CHEMBL3605407) Show SMILES CN1C(=S)N(C)\C(=C\c2ccc(=O)[nH]c2)C1=O Show InChI InChI=1S/C11H11N3O2S/c1-13-8(10(16)14(2)11(13)17)5-7-3-4-9(15)12-6-7/h3-6H,1-2H3,(H,12,15)/b8-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111786 (CHEMBL3605374) Show SMILES Oc1ccc(\C=C2\NC(=S)N(C2=O)c2ccccc2)cc1O Show InChI InChI=1S/C21H29N5O8/c22-7-14-17(29)18(30)20(33-14)34-15(10-24-9-11-2-1-4-23-8-11)13-6-12(27)19(32-13)26-5-3-16(28)25-21(26)31/h1-5,8,12-15,17-20,24,27,29-30H,6-7,9-10,22H2,(H,25,28,31)/t12-,13+,14-,15+,17-,18-,19-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111793 (CHEMBL3605381) Show SMILES COc1ccc(\C=C2\NC(=S)N(C)C2=O)cn1 Show InChI InChI=1S/C29H34N4O9/c30-14-21-25(37)26(38)28(41-21)42-22(20-13-19(34)27(40-20)33-11-10-23(35)32-29(33)39)15-31-24(36)12-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,19-22,25-28,34,37-38H,12-15,30H2,(H,31,36)(H,32,35,39)/t19-,20+,21-,22+,25-,26-,27-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111884 (CHEMBL3605391) Show SMILES COc1ncccc1\C=C1\NC(=S)N(C)C1=O Show InChI InChI=1S/C11H11N3O2S/c1-14-10(15)8(13-11(14)17)6-7-4-3-5-12-9(7)16-2/h3-6H,1-2H3,(H,13,17)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111800 (CHEMBL3605388) Show SMILES CN1C(=S)N\C(=C\c2ccc(=O)n(Cc3ccccc3)c2)C1=O Show InChI InChI=1S/C22H37N5O9/c23-11-15-18(30)19(31)21(35-15)36-16(12-24-3-1-4-26-6-8-33-9-7-26)14-10-13(28)20(34-14)27-5-2-17(29)25-22(27)32/h2,5,13-16,18-21,24,28,30-31H,1,3-4,6-12,23H2,(H,25,29,32)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type IDH1 expressed in Escherichia coli using sodium (D)-isocitrate as substrate assessed as production of NADPH				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111896 (CHEMBL3605393) Show SMILES COc1cccc(\C=C2\NC(=S)N(C)C2=O)n1 Show InChI InChI=1S/C11H11N3O2S/c1-14-10(15)8(13-11(14)17)6-7-4-3-5-9(12-7)16-2/h3-6H,1-2H3,(H,13,17)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	3.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50114022 (CHEMBL3605371) Show SMILES COc1ccc(\C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1OC Show InChI InChI=1S/C19H18N2O3S/c1-23-16-9-8-14(11-17(16)24-2)10-15-18(22)21(19(25)20-15)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,25)/b15-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111797 (CHEMBL3605385) Show SMILES COc1ccc(\C=C2\NC(=S)N(CC(O)=O)C2=O)cn1 Show InChI InChI=1S/C23H29F3N4O9/c24-23(25,26)39-12-3-1-11(2-4-12)9-28-10-16(38-21-19(34)18(33)15(8-27)37-21)14-7-13(31)20(36-14)30-6-5-17(32)29-22(30)35/h1-6,13-16,18-21,28,31,33-34H,7-10,27H2,(H,29,32,35)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111798 (CHEMBL3605386) Show SMILES OC(=O)CN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O Show InChI InChI=1S/C27H48N4O8/c1-2-3-4-5-6-7-8-9-10-11-13-29-17-21(39-26-24(35)23(34)20(16-28)38-26)19-15-18(32)25(37-19)31-14-12-22(33)30-27(31)36/h12,14,18-21,23-26,29,32,34-35H,2-11,13,15-17,28H2,1H3,(H,30,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50114021 (CHEMBL3605372) Show SMILES COc1ccc(\C=C2\NC(=S)N(C2=O)c2ccccc2)cc1OC Show InChI InChI=1S/C18H16N2O3S/c1-22-15-9-8-12(11-16(15)23-2)10-14-17(21)20(18(24)19-14)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,24)/b14-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111975 (CHEMBL3605395) Show SMILES CN1C(=S)N\C(=C\c2ccncc2)C1=O Show InChI InChI=1S/C10H9N3OS/c1-13-9(14)8(12-10(13)15)6-7-2-4-11-5-3-7/h2-6H,1H3,(H,12,15)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50114020 (CHEMBL3605373) Show SMILES COc1ccc(CN2C(=S)N\C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1 Show InChI InChI=1S/C20H20N2O4S/c1-24-15-7-4-13(5-8-15)12-22-19(23)16(21-20(22)27)10-14-6-9-17(25-2)18(11-14)26-3/h4-11H,12H2,1-3H3,(H,21,27)/b16-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111895 (CHEMBL3605392) Show SMILES CN1C(=S)N\C(=C\c2ccc[nH]c2=O)C1=O Show InChI InChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)5-6-3-2-4-11-8(6)14/h2-5H,1H3,(H,11,14)(H,12,16)/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111979 (CHEMBL3605398) Show SMILES Brc1cc(\C=C2\NC(=S)NC2=O)ccn1 Show InChI InChI=1S/C9H6BrN3OS/c10-7-4-5(1-2-11-7)3-6-8(14)13-9(15)12-6/h1-4H,(H2,12,13,14,15)/b6-3+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111788 (CHEMBL3605376) Show SMILES O=C1N(Cc2ccccc2)C(=S)N\C1=C\c1cccnc1 Show InChI InChI=1S/C25H44N4O8/c1-2-3-4-5-6-7-8-9-11-27-15-19(37-24-22(33)21(32)18(14-26)36-24)17-13-16(30)23(35-17)29-12-10-20(31)28-25(29)34/h10,12,16-19,21-24,27,30,32-33H,2-9,11,13-15,26H2,1H3,(H,28,31,34)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111789 (CHEMBL3605377) Show SMILES COc1ccc(\C=C2\NC(=S)N(Cc3ccccc3)C2=O)cn1 Show InChI InChI=1S/C20H28N4O8S/c21-7-13-16(27)17(28)19(31-13)32-14(9-22-8-10-2-1-5-33-10)12-6-11(25)18(30-12)24-4-3-15(26)23-20(24)29/h1-5,11-14,16-19,22,25,27-28H,6-9,21H2,(H,23,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111982 (CHEMBL3605401) Show SMILES COc1ccc(\C=C2\SC(=S)NC2=O)cn1 Show InChI InChI=1S/C10H8N2O2S2/c1-14-8-3-2-6(5-11-8)4-7-9(13)12-10(15)16-7/h2-5H,1H3,(H,12,13,15)/b7-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50112071 (CHEMBL3605405) Show SMILES NC1=N\C(=C\c2ccc(=O)[nH]c2)C(=O)N1 |t:1| Show InChI InChI=1S/C9H8N4O2/c10-9-12-6(8(15)13-9)3-5-1-2-7(14)11-4-5/h1-4H,(H,11,14)(H3,10,12,13,15)/b6-3+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50112096 (CHEMBL3605406) Show SMILES CSC1=N\C(=C\c2ccc(=O)[nH]c2)C(=O)N1 |t:2| Show InChI InChI=1S/C10H9N3O2S/c1-16-10-12-7(9(15)13-10)4-6-2-3-8(14)11-5-6/h2-5H,1H3,(H,11,14)(H,12,13,15)/b7-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50112061 (CHEMBL3605404) Show SMILES O=C1NC(=O)\C(N1)=C/c1ccc(=O)[nH]c1 Show InChI InChI=1S/C9H7N3O3/c13-7-2-1-5(4-10-7)3-6-8(14)12-9(15)11-6/h1-4H,(H,10,13)(H2,11,12,14,15)/b6-3+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50112052 (CHEMBL3605403) Show SMILES COc1ccc(\C=C2\NC(=O)NC2=O)cn1 Show InChI InChI=1S/C10H9N3O3/c1-16-8-3-2-6(5-11-8)4-7-9(14)13-10(15)12-7/h2-5H,1H3,(H2,12,13,14,15)/b7-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111796 (CHEMBL3605384) Show SMILES O=C1NC(=S)N\C1=C\c1ccc(=O)[nH]c1 Show InChI InChI=1S/C27H38N4O8/c28-13-20-23(34)24(35)26(38-20)39-21(14-29-17-8-6-16(7-9-17)15-4-2-1-3-5-15)19-12-18(32)25(37-19)31-11-10-22(33)30-27(31)36/h6-11,15,18-21,23-26,29,32,34-35H,1-5,12-14,28H2,(H,30,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human IDH1 R132H mutant expressed in Escherichia coli by isothermal titration calorimetric analysis in presence of NA...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111796 (CHEMBL3605384) Show SMILES O=C1NC(=S)N\C1=C\c1ccc(=O)[nH]c1 Show InChI InChI=1S/C27H38N4O8/c28-13-20-23(34)24(35)26(38-20)39-21(14-29-17-8-6-16(7-9-17)15-4-2-1-3-5-15)19-12-18(32)25(37-19)31-11-10-22(33)30-27(31)36/h6-11,15,18-21,23-26,29,32,34-35H,1-5,12-14,28H2,(H,30,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human IDH1 R132H mutant expressed in Escherichia coli by isothermal titration calorimetric analysis in presence of NA...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111796 (CHEMBL3605384) Show SMILES O=C1NC(=S)N\C1=C\c1ccc(=O)[nH]c1 Show InChI InChI=1S/C27H38N4O8/c28-13-20-23(34)24(35)26(38-20)39-21(14-29-17-8-6-16(7-9-17)15-4-2-1-3-5-15)19-12-18(32)25(37-19)31-11-10-22(33)30-27(31)36/h6-11,15,18-21,23-26,29,32,34-35H,1-5,12-14,28H2,(H,30,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human IDH1 R132H mutant expressed in Escherichia coli by isothermal titration calorimetric analysis in absence of NAD...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
					More data for this Ligand-Target Pair