Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50007291   

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))	BDBM50400272 (CHEMBL2180727) Show SMILES Cc1nccn1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 Show InChI InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508261 (CHEMBL4559482) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H21N7O2/c1-30-23-17(7-4-9-27-23)22(29-30)21-20(24(33)28-25(21)34)18-14-32(19-8-3-2-6-16(18)19)12-5-11-31-13-10-26-15-31/h2-4,6-10,13-15H,5,11-12H2,1H3,(H,28,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508244 (CHEMBL4476190) Show SMILES Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21| Show InChI InChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508250 (CHEMBL4556914) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Br)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20BrN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508262 (CHEMBL4465287) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(F)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20FN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508253 (CHEMBL4469450) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C26H23N7O2/c1-31-24-18(8-6-10-28-24)23(30-31)22-21(25(34)29-26(22)35)19-15-33(20-9-3-2-7-17(19)20)13-5-4-12-32-14-11-27-16-32/h2-3,6-11,14-16H,4-5,12-13H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508243 (CHEMBL4514241) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Cl)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20ClN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50400272 (CHEMBL2180727) Show SMILES Cc1nccn1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 Show InChI InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508244 (CHEMBL4476190) Show SMILES Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21| Show InChI InChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508247 (CHEMBL4467855) Show SMILES COc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:22| Show InChI InChI=1S/C26H23N7O3/c1-31-24-18(5-3-8-28-24)23(30-31)22-21(25(34)29-26(22)35)19-14-33(11-4-10-32-12-9-27-15-32)20-13-16(36-2)6-7-17(19)20/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508250 (CHEMBL4556914) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Br)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20BrN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50400272 (CHEMBL2180727) Show SMILES Cc1nccn1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 Show InChI InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508268 (CHEMBL4544382) Show SMILES CCn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:5| Show InChI InChI=1S/C26H23N7O2/c1-2-33-24-18(8-5-10-28-24)23(30-33)22-21(25(34)29-26(22)35)19-15-32(20-9-4-3-7-17(19)20)13-6-12-31-14-11-27-16-31/h3-5,7-11,14-16H,2,6,12-13H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508262 (CHEMBL4465287) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(F)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20FN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508248 (CHEMBL4457293) Show SMILES Cc1cccc2c(cn(CCCn3ccnc3)c12)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21| Show InChI InChI=1S/C26H23N7O2/c1-16-6-3-7-17-19(14-33(23(16)17)12-5-11-32-13-10-27-15-32)20-21(26(35)29-25(20)34)22-18-8-4-9-28-24(18)31(2)30-22/h3-4,6-10,13-15H,5,11-12H2,1-2H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508243 (CHEMBL4514241) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Cl)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20ClN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508253 (CHEMBL4469450) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C26H23N7O2/c1-31-24-18(8-6-10-28-24)23(30-31)22-21(25(34)29-26(22)35)19-15-33(20-9-3-2-7-17(19)20)13-5-4-12-32-14-11-27-16-32/h2-3,6-11,14-16H,4-5,12-13H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	311	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508262 (CHEMBL4465287) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(F)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20FN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	334	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508261 (CHEMBL4559482) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H21N7O2/c1-30-23-17(7-4-9-27-23)22(29-30)21-20(24(33)28-25(21)34)18-14-32(19-8-3-2-6-16(18)19)12-5-11-31-13-10-26-15-31/h2-4,6-10,13-15H,5,11-12H2,1H3,(H,28,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508261 (CHEMBL4559482) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H21N7O2/c1-30-23-17(7-4-9-27-23)22(29-30)21-20(24(33)28-25(21)34)18-14-32(19-8-3-2-6-16(18)19)12-5-11-31-13-10-26-15-31/h2-4,6-10,13-15H,5,11-12H2,1H3,(H,28,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508253 (CHEMBL4469450) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C26H23N7O2/c1-31-24-18(8-6-10-28-24)23(30-31)22-21(25(34)29-26(22)35)19-15-33(20-9-3-2-7-17(19)20)13-5-4-12-32-14-11-27-16-32/h2-3,6-11,14-16H,4-5,12-13H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508243 (CHEMBL4514241) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Cl)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20ClN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	423	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508250 (CHEMBL4556914) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Br)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20BrN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508244 (CHEMBL4476190) Show SMILES Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21| Show InChI InChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	483	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508251 (CHEMBL4471506) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccc(F)cc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20FN7O2/c1-31-23-16(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-6-5-15(26)12-17(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508266 (CHEMBL4524313) Show SMILES CN1C(=O)C(=C(C1=O)c1nn(C)c2ncccc12)c1cn(CCCn2ccnc2)c2ccccc12 |c:4| Show InChI InChI=1S/C26H23N7O2/c1-30-25(34)21(22(26(30)35)23-18-8-5-10-28-24(18)31(2)29-23)19-15-33(20-9-4-3-7-17(19)20)13-6-12-32-14-11-27-16-32/h3-5,7-11,14-16H,6,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508249 (CHEMBL4568252) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cccc(Br)c23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20BrN7O2/c1-31-23-15(5-3-8-28-23)22(30-31)21-20(24(34)29-25(21)35)16-13-33(11-4-10-32-12-9-27-14-32)18-7-2-6-17(26)19(16)18/h2-3,5-9,12-14H,4,10-11H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508252 (CHEMBL4557985) Show SMILES CCCCn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:7| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-35-26-20(9-6-11-30-26)25(32-35)24-23(27(36)31-28(24)37)21-17-34(22-10-5-4-8-19(21)22)14-7-13-33-16-12-29-18-33/h4-6,8-12,16-18H,2-3,7,13-15H2,1H3,(H,31,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508255 (CHEMBL550052) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCCn3ccnc3)c3ncccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H21N7O2/c1-30-14-18(16-6-2-3-8-19(16)30)20-21(25(34)28-24(20)33)22-17-7-4-9-27-23(17)32(29-22)12-5-11-31-13-10-26-15-31/h2-4,6-10,13-15H,5,11-12H2,1H3,(H,28,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508258 (CHEMBL4454383) Show SMILES O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1nnc2ccccc12 |c:5| Show InChI InChI=1S/C24H19N7O2/c32-23-21(22(24(33)26-23)31-20-9-4-2-7-18(20)27-28-31)17-14-30(19-8-3-1-6-16(17)19)12-5-11-29-13-10-25-15-29/h1-4,6-10,13-15H,5,11-12H2,(H,26,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508246 (CHEMBL4463255) Show SMILES O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1ccc2ccncc12 |c:5| Show InChI InChI=1S/C25H20N6O2/c32-24-22(23(25(33)28-24)31-12-7-17-6-8-26-14-21(17)31)19-15-30(20-5-2-1-4-18(19)20)11-3-10-29-13-9-27-16-29/h1-2,4-9,12-16H,3,10-11H2,(H,28,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508256 (CHEMBL4473155) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C27H23N5O2/c1-30-15-20(18-7-2-4-9-22(18)30)24-25(27(34)29-26(24)33)21-16-32(23-10-5-3-8-19(21)23)13-6-12-31-14-11-28-17-31/h2-5,7-11,14-17H,6,12-13H2,1H3,(H,29,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508260 (CHEMBL4548634) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C26H22N6O2/c1-30-20-9-4-3-8-18(20)24(29-30)23-22(25(33)28-26(23)34)19-15-32(21-10-5-2-7-17(19)21)13-6-12-31-14-11-27-16-31/h2-5,7-11,14-16H,6,12-13H2,1H3,(H,28,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508269 (CHEMBL4560109) Show SMILES O=C1NC(=O)C(=C1c1cc[nH]c1)c1cn(CCCn2ccnc2)c2ccccc12 |c:5| Show InChI InChI=1S/C22H19N5O2/c28-21-19(15-6-7-23-12-15)20(22(29)25-21)17-13-27(18-5-2-1-4-16(17)18)10-3-9-26-11-8-24-14-26/h1-2,4-8,11-14,23H,3,9-10H2,(H,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508267 (CHEMBL4442650) Show SMILES O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)c1ccccc1 |c:5| Show InChI InChI=1S/C24H20N4O2/c29-23-21(17-7-2-1-3-8-17)22(24(30)26-23)19-15-28(20-10-5-4-9-18(19)20)13-6-12-27-14-11-25-16-27/h1-5,7-11,14-16H,6,12-13H2,(H,26,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM166614 (3-(1-(3-(1H-Imidazol-1-yl)propyl)-1H-indol-3-yl)-4...) Show SMILES O=C1NC(=O)C(=C1c1coc2ncccc12)c1cn(CCCn2ccnc2)c2ccccc12 |c:5| Show InChI InChI=1S/C25H19N5O3/c31-23-21(22(24(32)28-23)19-14-33-25-17(19)6-3-8-27-25)18-13-30(20-7-2-1-5-16(18)20)11-4-10-29-12-9-26-15-29/h1-3,5-9,12-15H,4,10-11H2,(H,28,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508259 (CHEMBL4471075) Show SMILES O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)c1cccc2ccccc12 |c:5| Show InChI InChI=1S/C28H22N4O2/c33-27-25(22-11-5-8-19-7-1-2-9-20(19)22)26(28(34)30-27)23-17-32(24-12-4-3-10-21(23)24)15-6-14-31-16-13-29-18-31/h1-5,7-13,16-18H,6,14-15H2,(H,30,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508264 (CHEMBL4534551) Show SMILES O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1ccc2cnccc12 |c:5| Show InChI InChI=1S/C25H20N6O2/c32-24-22(23(25(33)28-24)31-12-7-17-14-26-8-6-20(17)31)19-15-30(21-5-2-1-4-18(19)21)11-3-10-29-13-9-27-16-29/h1-2,4-9,12-16H,3,10-11H2,(H,28,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508245 (CHEMBL4446593) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCn3ccnc3)c3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C24H19N7O2/c1-29-22-16(6-4-8-26-22)21(28-29)20-19(23(32)27-24(20)33)17-13-31(12-11-30-10-9-25-14-30)18-7-3-2-5-15(17)18/h2-10,13-14H,11-12H2,1H3,(H,27,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508265 (CHEMBL4452734) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccc(Br)cc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20BrN7O2/c1-31-23-16(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-6-5-15(26)12-17(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508257 (CHEMBL4467139) Show SMILES O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1cnc2ccccc12 |c:5| Show InChI InChI=1S/C25H20N6O2/c32-24-22(23(25(33)28-24)31-16-27-19-7-2-4-9-21(19)31)18-14-30(20-8-3-1-6-17(18)20)12-5-11-29-13-10-26-15-29/h1-4,6-10,13-16H,5,11-12H2,(H,28,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508263 (CHEMBL4453488) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3cncn3)c3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C24H20N8O2/c1-30-22-16(7-4-9-26-22)21(29-30)20-19(23(33)28-24(20)34)17-12-31(18-8-3-2-6-15(17)18)10-5-11-32-14-25-13-27-32/h2-4,6-9,12-14H,5,10-11H2,1H3,(H,28,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508270 (CHEMBL4466687) Show SMILES COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3nn(C)c4ncccc34)c2c1 |t:18| Show InChI InChI=1S/C26H23N7O3/c1-31-24-17(5-3-8-28-24)23(30-31)22-21(25(34)29-26(22)35)19-14-33(11-4-10-32-12-9-27-15-32)20-7-6-16(36-2)13-18(19)20/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50508243 (CHEMBL4514241) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Cl)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20ClN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused wild-type IDH2 using sodium (D)-isocitrate as substrate preincubated for 15 mins followed by sub...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508250 (CHEMBL4556914) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Br)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20BrN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused wild-type IDH1 using sodium (D)-isocitrate as substrate by fluorescence assay				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508243 (CHEMBL4514241) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Cl)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20ClN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused wild-type IDH1 using sodium (D)-isocitrate as substrate by fluorescence assay				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508262 (CHEMBL4465287) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(F)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20FN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused wild-type IDH1 using sodium (D)-isocitrate as substrate by fluorescence assay				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50508261 (CHEMBL4559482) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H21N7O2/c1-30-23-17(7-4-9-27-23)22(29-30)21-20(24(33)28-25(21)34)18-14-32(19-8-3-2-6-16(18)19)12-5-11-31-13-10-26-15-31/h2-4,6-10,13-15H,5,11-12H2,1H3,(H,28,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused wild-type IDH2 using sodium (D)-isocitrate as substrate preincubated for 15 mins followed by sub...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50508244 (CHEMBL4476190) Show SMILES Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21| Show InChI InChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused wild-type IDH2 using sodium (D)-isocitrate as substrate preincubated for 15 mins followed by sub...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial (Homo sapiens (Human))	BDBM50508253 (CHEMBL4469450) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C26H23N7O2/c1-31-24-18(8-6-10-28-24)23(30-31)22-21(25(34)29-26(22)35)19-15-33(20-9-3-2-7-17(19)20)13-5-4-12-32-14-11-27-16-32/h2-3,6-11,14-16H,4-5,12-13H2,1H3,(H,29,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused wild-type IDH2 using sodium (D)-isocitrate as substrate preincubated for 15 mins followed by sub...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 65 total )  |  Next  |  Last  >>

Jump to: