BDBM138917 US8877741, 9.53

SMILES: CCCOc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F

InChI Key: InChIKey=XBOSVPKOFFBDKM-HNAYVOBHSA-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 = 138917   

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))	BDBM138917 (US8877741, 9.53) Show SMILES CCCOc1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F |r| Show InChI InChI=1S/C22H28FN3O3/c1-4-13-28-22-21(23)20(9-11-24-22)26-12-10-19(14-26)29-18-7-5-17(6-8-18)15(2)25-16(3)27/h5-9,11,15,19H,4,10,12-14H2,1-3H3,(H,25,27)/t15-,19+/m0/s1	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	40	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 US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair