Compile Data Set for Download or QSAR

Found 148 hits Enz. Inhib. hit(s) with all data for entry = 50008025   

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))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132G mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383892 (US10280150, Cmpd No I-175 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132C mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383892 (US10280150, Cmpd No I-175 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132L mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377646 (4-({[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1,2- |...) Show SMILES COc1cc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C24H19ClN4O3/c1-31-22-10-18(6-5-15(22)12-26)28-13-17-8-16-9-20(25)23(11-21(16)29-24(17)30)32-14-19-4-2-3-7-27-19/h2-11,28H,13-14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377574 (4-{[(1S)-1-(6-chloro-2-oxo- | US10266495, Compound...) Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383893 (US10280150, Cmpd No I-176 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(cc3[nH]c2=O)C2CC2)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383876 (US10280150, Cmpd No I-159 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCC4CC4)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377660 (4-[({6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-...) Show SMILES COc1cc(NCc2cc3cc(Cl)c(OCC4CCCCN4C)cc3[nH]c2=O)ccc1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377574 (4-{[(1S)-1-(6-chloro-2-oxo- | US10266495, Compound...) Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377648 (4-[({6-chloro-7-[2-(morpholin-4-yl)ethoxy]-2-oxo-1...) Show SMILES COc1cc(NCc2cc3cc(Cl)c(OCCN4CCOCC4)cc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C24H25ClN4O4/c1-31-22-12-19(3-2-16(22)14-26)27-15-18-10-17-11-20(25)23(13-21(17)28-24(18)30)33-9-6-29-4-7-32-8-5-29/h2-3,10-13,27H,4-9,15H2,1H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM375141 (6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-1) Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383868 (US10280150, Cmpd No I-151 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383753 (US10280150, Cmpd No I-36 | US10550099, Compound I-...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383753 (US10280150, Cmpd No I-36 | US10550099, Compound I-...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM375144 (6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-4) Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383868 (US10280150, Cmpd No I-151 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377686 (4-({[6-chloro-2-oxo-8- | US10266495, Compound I-98) Show SMILES COc1cc(NCc2cc3cc(Cl)cc(OCc4ccccn4)c3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C24H19ClN4O3/c1-31-21-11-19(6-5-15(21)12-26)28-13-17-8-16-9-18(25)10-22(23(16)29-24(17)30)32-14-20-4-2-3-7-27-20/h2-11,28H,13-14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377674 (4-[({6-chloro-2-oxo-7-[2-(2-oxopyrrolidin-1- | US1...) Show SMILES COc1cc(NCc2cc3cc(Cl)c(OCCN4CCCC4=O)cc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C24H23ClN4O4/c1-32-21-11-18(5-4-15(21)13-26)27-14-17-9-16-10-19(25)22(12-20(16)28-24(17)31)33-8-7-29-6-2-3-23(29)30/h4-5,9-12,27H,2-3,6-8,14H2,1H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383893 (US10280150, Cmpd No I-176 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(cc3[nH]c2=O)C2CC2)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM375146 (6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-6) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383892 (US10280150, Cmpd No I-175 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132C mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377654 (4-[({6-chloro-7-[(1-methylpiperidin-4-yl)oxy]-2-ox...) Show SMILES COc1cc(NCc2cc3cc(Cl)c(OC4CCN(C)CC4)cc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C24H25ClN4O3/c1-29-7-5-19(6-8-29)32-23-12-21-16(10-20(23)25)9-17(24(30)28-21)14-27-18-4-3-15(13-26)22(11-18)31-2/h3-4,9-12,19,27H,5-8,14H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383868 (US10280150, Cmpd No I-151 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132C mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383898 (US10280150, Cmpd No I-181 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(F)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383756 (US10280150, Cmpd No I-39 | US10550099, Compound I-...) Show SMILES C[C@H](Nc1ncc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383868 (US10280150, Cmpd No I-151 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132C mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM375147 (5-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-7) Show SMILES COc1nc(ccc1N[C@@H](C)c1cc2cc(Cl)ccc2[nH]c1=O)C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383753 (US10280150, Cmpd No I-36 | US10550099, Compound I-...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383876 (US10280150, Cmpd No I-159 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCC4CC4)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM375141 (6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-1) Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383876 (US10280150, Cmpd No I-159 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCC4CC4)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132C mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377613 (2-methoxy-4-({[2-oxo-6- | US10266495, Compound I-2...) Show SMILES COc1cc(NCc2cc3cc(ccc3[nH]c2=O)C(F)(F)F)ccc1C#N Show InChI InChI=1S/C19H14F3N3O2/c1-27-17-8-15(4-2-11(17)9-23)24-10-13-6-12-7-14(19(20,21)22)3-5-16(12)25-18(13)26/h2-8,24H,10H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377611 (4-{[(6-bromo-2-oxo-1,2- | US10266495, Compound I-2...) Show SMILES COc1cc(NCc2cc3cc(Br)ccc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C18H14BrN3O2/c1-24-17-8-15(4-2-11(17)9-20)21-10-13-6-12-7-14(19)3-5-16(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383876 (US10280150, Cmpd No I-159 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCC4CC4)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377682 (4-{[(6-chloro-7-{[(2S)-1-methylpyrrolidin-2- | US1...) Show SMILES COc1cc(NCc2cc3cc(Cl)c(OC[C@@H]4CCCN4C)cc3[nH]c2=O)ccc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383753 (US10280150, Cmpd No I-36 | US10550099, Compound I-...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r| Show InChI	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
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132L mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377649 (4-[({6-chloro-7-[2-(dimethylamino)ethoxy]-2-oxo-1,...) Show SMILES COc1cc(NCc2cc3cc(Cl)c(OCCN(C)C)cc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C22H23ClN4O3/c1-27(2)6-7-30-21-11-19-15(9-18(21)23)8-16(22(28)26-19)13-25-17-5-4-14(12-24)20(10-17)29-3/h4-5,8-11,25H,6-7,13H2,1-3H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM375198 (6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...) Show SMILES Cc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377612 (4-{[(6-tert-butyl-2-oxo-1,2- | US10266495, Compoun...) Show SMILES COc1cc(NCc2cc3cc(ccc3[nH]c2=O)C(C)(C)C)ccc1C#N Show InChI InChI=1S/C22H23N3O2/c1-22(2,3)17-6-8-19-15(10-17)9-16(21(26)25-19)13-24-18-7-5-14(12-23)20(11-18)27-4/h5-11,24H,13H2,1-4H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377658 (4-[({6-chloro-7-[(1,5-dimethyl-1H-pyrazol-3- | US1...) Show SMILES COc1cc(NCc2cc3cc(Cl)c(OCc4cc(C)n(C)n4)cc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C24H22ClN5O3/c1-14-6-19(29-30(14)2)13-33-23-10-21-16(8-20(23)25)7-17(24(31)28-21)12-27-18-5-4-15(11-26)22(9-18)32-3/h4-10,27H,12-13H2,1-3H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM375146 (6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-6) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM375171 (6-{[1-(6-chloro-2-oxo-1,2- | US10253015, Compound ...) Show SMILES Cc1nc(NC2(CC2)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C19H15ClN4O/c1-11-12(10-21)2-5-17(22-11)24-19(6-7-19)15-9-13-8-14(20)3-4-16(13)23-18(15)25/h2-5,8-9H,6-7H2,1H3,(H,22,24)(H,23,25)	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
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383892 (US10280150, Cmpd No I-175 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair

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