Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '4,4'-diapophytoene synthase' and Ligand = 'BDBM50460684'   

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
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50460684 (CHEMBL4227311) Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccccc2F)c2ccccc2n(C)c1=O Show InChI InChI=1S/C23H24FN3O3/c1-3-30-23(29)20-21(16-8-4-6-10-18(16)25(2)22(20)28)27-14-12-26(13-15-27)19-11-7-5-9-17(19)24/h4-11H,3,12-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase				Bioorg Med Chem Lett 28: 1166-1170 (2018) Article DOI: 10.1016/j.bmcl.2018.03.007 BindingDB Entry DOI: 10.7270/Q2M32ZDZ
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