BDBM326663 US9662327, Compound 329

SMILES: CCCCOC(=O)N1CCN(CC1C(=O)OCC)c1nc(C(C)C)c2COC(C)(C)Cc2c1C#N

InChI Key: InChIKey=LPNUTUJQSWDCJP-UHFFFAOYSA-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 = 326663   

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))	BDBM326663 (US9662327, Compound 329) Show SMILES CCCCOC(=O)N1CCN(CC1C(=O)OCC)c1nc(C(C)C)c2COC(C)(C)Cc2c1C#N Show InChI InChI=1S/C26H38N4O5/c1-7-9-12-34-25(32)30-11-10-29(15-21(30)24(31)33-8-2)23-19(14-27)18-13-26(5,6)35-16-20(18)22(28-23)17(3)4/h17,21H,7-13,15-16H2,1-6H3	PDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	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