BDBM131120 US8835472, 2.53

SMILES: CC(NC(C)=O)c1ccc(cc1)C#Cc1ccc(OC2CCC2)cc1

InChI Key: InChIKey=JQRDHPCGSNXKMM-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 = 131120   

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))	BDBM131120 (US8835472, 2.53) Show SMILES CC(NC(C)=O)c1ccc(cc1)C#Cc1ccc(OC2CCC2)cc1 Show InChI InChI=1S/C22H23NO2/c1-16(23-17(2)24)20-12-8-18(9-13-20)6-7-19-10-14-22(15-11-19)25-21-4-3-5-21/h8-16,21H,3-5H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	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 US8835472 (2014) BindingDB Entry DOI: 10.7270/Q25T3J6W
					More data for this Ligand-Target Pair