BDBM247615 US10112931, Example 217::US9434719, 217 as TFA salt::US9688672, Example 217

SMILES: C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)ncc1F

InChI Key: InChIKey=WUFHWWGCPRCXLY-FIXISWKDSA-N

Data: 5 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 5 hits for monomerid = 247615   

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))	BDBM247615 (US10112931, Example 217 | US9434719, 217 as TFA sa...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)ncc1F |r| Show InChI InChI=1S/C20H19ClFN5O3S/c1-10(16-8-23-18(31-16)12-3-5-13(21)6-4-12)25-19-24-7-14(22)17(26-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,24,25,26)/t10-,11+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.5	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))	BDBM247615 (US10112931, Example 217 | US9434719, 217 as TFA sa...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)ncc1F |r| Show InChI InChI=1S/C20H19ClFN5O3S/c1-10(16-8-23-18(31-16)12-3-5-13(21)6-4-12)25-19-24-7-14(22)17(26-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,24,25,26)/t10-,11+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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))	BDBM247615 (US10112931, Example 217 | US9434719, 217 as TFA sa...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)ncc1F |r| Show InChI InChI=1S/C20H19ClFN5O3S/c1-10(16-8-23-18(31-16)12-3-5-13(21)6-4-12)25-19-24-7-14(22)17(26-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,24,25,26)/t10-,11+,15+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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))	BDBM247615 (US10112931, Example 217 | US9434719, 217 as TFA sa...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)ncc1F |r| Show InChI InChI=1S/C20H19ClFN5O3S/c1-10(16-8-23-18(31-16)12-3-5-13(21)6-4-12)25-19-24-7-14(22)17(26-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,24,25,26)/t10-,11+,15+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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))	BDBM247615 (US10112931, Example 217 | US9434719, 217 as TFA sa...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)ncc1F |r| Show InChI InChI=1S/C20H19ClFN5O3S/c1-10(16-8-23-18(31-16)12-3-5-13(21)6-4-12)25-19-24-7-14(22)17(26-19)27-15(11(2)28)9-30-20(27)29/h3-8,10-11,15,28H,9H2,1-2H3,(H,24,25,26)/t10-,11+,15+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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