BDBM131122 US8835472, 2.55

SMILES: CC(NC(C)=O)c1ccc(cc1)C#Cc1ccc(OC2CC2)cc1

InChI Key: InChIKey=YFDJXMROBLIDOC-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 = 131122   

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 (Homo sapiens (Human))	BDBM131122 (US8835472, 2.55) Show SMILES CC(NC(C)=O)c1ccc(cc1)C#Cc1ccc(OC2CC2)cc1 Show InChI InChI=1S/C21H21NO2/c1-15(22-16(2)23)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)24-21-13-14-21/h5-12,15,21H,13-14H2,1-2H3,(H,22,23)	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	70	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