BDBM138749 US8877741, 2.75

SMILES: COCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1

InChI Key: InChIKey=UOYDQDTVADFIRV-VEXWJQHLSA-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 = 138749   

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))	BDBM138749 (US8877741, 2.75) Show SMILES COCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r| Show InChI InChI=1S/C29H35N5O5S/c1-18(31-28(36)27-19(2)32-29(40-27)33-25(35)17-37-3)21-6-8-23(9-7-21)39-24-11-13-34(15-24)22-10-12-30-26(14-22)38-16-20-4-5-20/h6-10,12,14,18,20,24H,4-5,11,13,15-17H2,1-3H3,(H,31,36)(H,32,33,35)/t18-,24?/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	39	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
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