BDBM212616 US9278954, 1.7

SMILES: CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1

InChI Key: InChIKey=BJAILXITAMPWQJ-XPKAQORNSA-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 = 212616   

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
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM212616 (US9278954, 1.7) Show SMILES CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1 Show InChI InChI=1S/C22H28FN5O2/c1-14(21(29)25-16-6-7-16)15-4-8-17(9-5-15)30-18-10-11-28(13-18)20-19(23)12-24-22(26-20)27(2)3/h4-5,8-9,12,14,16,18H,6-7,10-11,13H2,1-3H3,(H,25,29)/t14?,18-/m1/s1	PDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	170	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