BDBM303459 (+-) N-ethyl-N-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}-1-[(cis)-3,3,5-trimethylcyclohexyl]-1H-benzimidazole-6-carboxamide::BDBM303460::US10138226, Example 2-6

SMILES: CCN(C)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1

InChI Key: InChIKey=MCDUFUWYFBBHFI-XLIONFOSSA-N

Data: 2 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 2 hits for monomerid = 303459   

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
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM303459 ((+-) N-ethyl-N-methyl-2-{[4-(trifluoromethoxy)phen...) Show SMILES CCN(C)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1 |r| Show InChI InChI=1S/C27H33F3N4O2/c1-6-33(5)24(35)18-7-12-22-23(14-18)34(20-13-17(2)15-26(3,4)16-20)25(32-22)31-19-8-10-21(11-9-19)36-27(28,29)30/h7-12,14,17,20H,6,13,15-16H2,1-5H3,(H,31,32)/t17-,20+/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				US Patent US10138226 (2018) BindingDB Entry DOI: 10.7270/Q2N30010
					More data for this Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM303459 ((+-) N-ethyl-N-methyl-2-{[4-(trifluoromethoxy)phen...) Show SMILES CCN(C)C(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1 |r| Show InChI InChI=1S/C27H33F3N4O2/c1-6-33(5)24(35)18-7-12-22-23(14-18)34(20-13-17(2)15-26(3,4)16-20)25(32-22)31-19-8-10-21(11-9-19)36-27(28,29)30/h7-12,14,17,20H,6,13,15-16H2,1-5H3,(H,31,32)/t17-,20+/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				US Patent US10138226 (2018) BindingDB Entry DOI: 10.7270/Q2N30010
					More data for this Ligand-Target Pair