Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM230556'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM230556 (US9340510, 3.013) Show SMILES C[C@H](NC(=O)C1(CC1)C#N)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1 |r| Show InChI InChI=1S/C27H29F2N3O2/c1-18(31-25(33)26(17-30)9-10-26)20-4-2-19(3-5-20)14-32-11-8-21-12-24(7-6-22(21)15-32)34-16-23-13-27(23,28)29/h2-7,12,18,23H,8-11,13-16H2,1H3,(H,31,33)/t18-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...				US Patent US9340510 (2016) BindingDB Entry DOI: 10.7270/Q2TM7913
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