BDBM303493 US10138226, Example 2-24

SMILES: CCOC(=O)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=AQDDTFOFVTXIRM-SIKLNZKXSA-N

Data: 1 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 1 hit for monomerid = 303493   

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))	BDBM303493 (US10138226, Example 2-24) Show SMILES CCOC(=O)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/C30H37F3N4O4/c1-6-40-26(38)13-14-36(5)27(39)20-7-12-24-25(16-20)37(22-15-19(2)17-29(3,4)18-22)28(35-24)34-21-8-10-23(11-9-21)41-30(31,32)33/h7-12,16,19,22H,6,13-15,17-18H2,1-5H3,(H,34,35)/t19-,22+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	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
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