BDBM138935 US8877741, 9.71

SMILES: C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3(F)F)c2Cl)cc1

InChI Key: InChIKey=DRIJHFYCWPMZSY-AHMQINRISA-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 = 138935   

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))	BDBM138935 (US8877741, 9.71) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3(F)F)c2Cl)cc1 |r| Show InChI InChI=1S/C23H26ClF2N3O3/c1-14(28-15(2)30)16-3-5-18(6-4-16)32-19-8-10-29(12-19)20-7-9-27-22(21(20)24)31-13-17-11-23(17,25)26/h3-7,9,14,17,19H,8,10-13H2,1-2H3,(H,28,30)/t14-,17?,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	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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