BDBM138937 US8877741, 9.73

SMILES: CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3)c2Cl)cc1

InChI Key: InChIKey=NQDWLXQGMUJNEK-HTAPYJJXSA-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 = 138937   

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))	BDBM138937 (US8877741, 9.73) Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3)c2Cl)cc1 |r| Show InChI InChI=1S/C29H34ClN5O4S/c1-4-24(36)34-29-33-18(3)26(40-29)27(37)32-17(2)20-7-9-21(10-8-20)39-22-12-14-35(15-22)23-11-13-31-28(25(23)30)38-16-19-5-6-19/h7-11,13,17,19,22H,4-6,12,14-16H2,1-3H3,(H,32,37)(H,33,34,36)/t17-,22+/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	45	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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