BDBM138892 US8877741, 9.28

SMILES: C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OC3CCCC3)c2)cc1

InChI Key: InChIKey=JJFWMXAYPSTEFC-GAJHUEQPSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 138892   

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))	BDBM138892 (US8877741, 9.28) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OC3CCCC3)c2)cc1 |r| Show InChI InChI=1S/C24H31N3O3/c1-17(26-18(2)28)19-7-9-22(10-8-19)29-23-12-14-27(16-23)20-11-13-25-24(15-20)30-21-5-3-4-6-21/h7-11,13,15,17,21,23H,3-6,12,14,16H2,1-2H3,(H,26,28)/t17-,23+/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