Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM230549'   

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))	BDBM230549 (US9340510, 3.006) Show SMILES C[C@H](NC(=O)C1CCC1)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1 |r| Show InChI InChI=1S/C27H32F2N2O2/c1-18(30-26(32)21-3-2-4-21)20-7-5-19(6-8-20)15-31-12-11-22-13-25(10-9-23(22)16-31)33-17-24-14-27(24,28)29/h5-10,13,18,21,24H,2-4,11-12,14-17H2,1H3,(H,30,32)/t18-,24?/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	38	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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