BDBM247707 US10112931, Example 309::US9434719, 309::US9688672, Example 309

SMILES: C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1

InChI Key: InChIKey=OYVVZWSDLVZFTI-HWWQOWPSSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 247707   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247707 (US10112931, Example 309 | US9434719, 309 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(15-8-27(10-23-15)14-5-3-13(21)4-6-14)24-19-25-17(22)7-18(26-19)28-16(12(2)29)9-31-20(28)30/h3-8,10-12,16,29H,9H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...				US Patent US9434719 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KFR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM247707 (US10112931, Example 309 | US9434719, 309 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(15-8-27(10-23-15)14-5-3-13(21)4-6-14)24-19-25-17(22)7-18(26-19)28-16(12(2)29)9-31-20(28)30/h3-8,10-12,16,29H,9H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...				US Patent US9434719 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KFR
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247707 (US10112931, Example 309 | US9434719, 309 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(15-8-27(10-23-15)14-5-3-13(21)4-6-14)24-19-25-17(22)7-18(26-19)28-16(12(2)29)9-31-20(28)30/h3-8,10-12,16,29H,9H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...				US Patent US9688672 (2017) BindingDB Entry DOI: 10.7270/Q2251GBM
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247707 (US10112931, Example 309 | US9434719, 309 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(15-8-27(10-23-15)14-5-3-13(21)4-6-14)24-19-25-17(22)7-18(26-19)28-16(12(2)29)9-31-20(28)30/h3-8,10-12,16,29H,9H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a produc...				US Patent US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247707 (US10112931, Example 309 | US9434719, 309 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(15-8-27(10-23-15)14-5-3-13(21)4-6-14)24-19-25-17(22)7-18(26-19)28-16(12(2)29)9-31-20(28)30/h3-8,10-12,16,29H,9H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...				US Patent US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247707 (US10112931, Example 309 | US9434719, 309 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(15-8-27(10-23-15)14-5-3-13(21)4-6-14)24-19-25-17(22)7-18(26-19)28-16(12(2)29)9-31-20(28)30/h3-8,10-12,16,29H,9H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a produc...				US Patent US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247707 (US10112931, Example 309 | US9434719, 309 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(15-8-27(10-23-15)14-5-3-13(21)4-6-14)24-19-25-17(22)7-18(26-19)28-16(12(2)29)9-31-20(28)30/h3-8,10-12,16,29H,9H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...				US Patent US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM247707 (US10112931, Example 309 | US9434719, 309 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C20H20Cl2N6O3/c1-11(15-8-27(10-23-15)14-5-3-13(21)4-6-14)24-19-25-17(22)7-18(26-19)28-16(12(2)29)9-31-20(28)30/h3-8,10-12,16,29H,9H2,1-2H3,(H,24,25,26)/t11-,12+,16+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...				US Patent US9688672 (2017) BindingDB Entry DOI: 10.7270/Q2251GBM
					More data for this Ligand-Target Pair