BDBM303484 US10138226, Example 2-19

SMILES: C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NS(C)(=O)=O

InChI Key: InChIKey=HGQNWNQKDXQVQR-MAUKXSAKSA-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 = 303484   

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))	BDBM303484 (US10138226, Example 2-19) Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NS(C)(=O)=O |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$| Show InChI InChI=1S/C25H29F3N4O4S/c1-15-11-18(14-24(2,3)13-15)32-21-12-16(22(33)31-37(4,34)35)5-10-20(21)30-23(32)29-17-6-8-19(9-7-17)36-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,30)(H,31,33)/t15-,18+/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
					More data for this Ligand-Target Pair