BDBM326568 US9662327, Compound 265

SMILES: CC(C)[C@@H]1CN(CCN1C(=O)Cc1cccnc1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N

InChI Key: InChIKey=ATCMOSAJAAALAE-DEOSSOPVSA-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 = 326568   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
IDH1 R132H (Homo sapiens (Human))	BDBM326568 (US9662327, Compound 265) Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)Cc1cccnc1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N Show InChI InChI=1S/C28H35N5O2/c1-18(2)24-16-32(10-11-33(24)25(34)12-19-6-5-9-30-15-19)27-22(14-29)21-13-28(3,4)35-17-23(21)26(31-27)20-7-8-20/h5-6,9,15,18,20,24H,7-8,10-13,16-17H2,1-4H3/t24-/m0/s1	PDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc US Patent					Assay Description Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...				US Patent US9662327 (2017) BindingDB Entry DOI: 10.7270/Q2RB76P0
					More data for this Ligand-Target Pair