null

SMILES: COC(=O)[C@H](C)N(C)C(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1

InChI Key: InChIKey=IUVKCQDNXHVVJO-LQWHRVPQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 389324   

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 [R132H] (Homo sapiens (Human))	BDBM389324 (US9951027, 2-95-2 | US9951027, 2-96-2) Show SMILES COC(=O)[C@H](C)N(C)C(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1 Show InChI InChI=1S/C29H35F3N4O4/c1-17-13-21(16-28(3,4)15-17)36-24-12-7-19(25(37)35(5)18(2)26(38)39-6)14-23(24)34-27(36)33-20-8-10-22(11-9-20)40-29(30,31)32/h7-12,14,17-18,21H,13,15-16H2,1-6H3,(H,33,34)/t17-,18+,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				J Med Chem 52: 514-23 (2009) BindingDB Entry DOI: 10.7270/Q2S75JN6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM389324 (US9951027, 2-95-2 | US9951027, 2-96-2) Show SMILES COC(=O)[C@H](C)N(C)C(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1 Show InChI InChI=1S/C29H35F3N4O4/c1-17-13-21(16-28(3,4)15-17)36-24-12-7-19(25(37)35(5)18(2)26(38)39-6)14-23(24)34-27(36)33-20-8-10-22(11-9-20)40-29(30,31)32/h7-12,14,17-18,21H,13,15-16H2,1-6H3,(H,33,34)/t17-,18+,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				J Med Chem 52: 514-23 (2009) BindingDB Entry DOI: 10.7270/Q2S75JN6
					More data for this Ligand-Target Pair