Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cycloartenol synthase' and Ligand = 'BDBM50255532'   

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
Cycloartenol synthase (Arabidopsis thaliana)	BDBM50255532 (CHEMBL481199 | N-(4-(5-(allyl(methyl)amino)pentyl)...) Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(1.8,-10.87,;1.88,-12.4,;3.25,-13.1,;4.53,-12.26,;5.9,-12.96,;7.19,-12.12,;8.57,-12.82,;9.86,-11.98,;11.23,-12.68,;12.52,-11.84,;12.43,-10.3,;11.06,-9.6,;9.78,-10.44,;13.72,-9.46,;13.63,-7.93,;15.09,-10.15,;16.46,-10.86,;14.39,-11.53,;15.78,-8.78,;15.03,-7.43,;15.82,-6.1,;17.37,-6.13,;18.11,-7.47,;17.31,-8.8,;18.16,-4.82,;18.94,-3.51,;19.47,-5.61,;16.85,-4.03,;.59,-13.24,;-.78,-12.54,;-2.06,-13.38,)| Show InChI InChI=1S/C23H35F3N2O2S/c1-4-17-27(2)18-7-5-6-8-19-9-13-21(14-10-19)28(3)31(29,30)22-15-11-20(12-16-22)23(24,25)26/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
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