BDBM212822 US9278954, 8.1

SMILES: CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ncc(CC3CCCC3)cc2F)cc1

InChI Key: InChIKey=GUCWOZAJHTYCAZ-WBPHRXDCSA-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 = 212822   

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
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM212822 (US9278954, 8.1) Show SMILES CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(C2)c2ncc(CC3CCCC3)cc2F)cc1 |r| Show InChI InChI=1S/C26H34FN3O2/c1-3-28-26(31)18(2)21-8-10-22(11-9-21)32-23-12-13-30(17-23)25-24(27)15-20(16-29-25)14-19-6-4-5-7-19/h8-11,15-16,18-19,23H,3-7,12-14,17H2,1-2H3,(H,28,31)/t18?,23-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	104	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US9278954 (2016) BindingDB Entry DOI: 10.7270/Q2RB73FM
					More data for this Ligand-Target Pair