BDBM138972 US8877741, 10.19

SMILES: CCN(CC)c1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F

InChI Key: InChIKey=HTZLAHPNOPJQHG-OXJNMPFZSA-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 = 138972   

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))	BDBM138972 (US8877741, 10.19) Show SMILES CCN(CC)c1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F |r| Show InChI InChI=1S/C23H31FN4O2/c1-5-27(6-2)23-22(24)21(11-13-25-23)28-14-12-20(15-28)30-19-9-7-18(8-10-19)16(3)26-17(4)29/h7-11,13,16,20H,5-6,12,14-15H2,1-4H3,(H,26,29)/t16-,20+/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	35	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