BDBM138893 US8877741, 9.29

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

InChI Key: InChIKey=NRRQVJWVFVAQPS-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 = 138893   

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))	BDBM138893 (US8877741, 9.29) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC(C)(C)C)c2)cc1 |r| Show InChI InChI=1S/C24H33N3O3/c1-17(26-18(2)28)19-6-8-21(9-7-19)30-22-11-13-27(15-22)20-10-12-25-23(14-20)29-16-24(3,4)5/h6-10,12,14,17,22H,11,13,15-16H2,1-5H3,(H,26,28)/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	30	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