BDBM131502 US8835472, 13.6

SMILES: CC(Cc1ccc(cc1)C#Cc1cnc(NCc2ccccc2)nc1)NC(C)=O

InChI Key: InChIKey=JEFJSOCQLFJPJA-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 = 131502   

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))	BDBM131502 (US8835472, 13.6) Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(NCc2ccccc2)nc1)NC(C)=O Show InChI InChI=1S/C24H24N4O/c1-18(28-19(2)29)14-21-11-8-20(9-12-21)10-13-23-16-26-24(27-17-23)25-15-22-6-4-3-5-7-22/h3-9,11-12,16-18H,14-15H2,1-2H3,(H,28,29)(H,25,26,27)	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	100	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