Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50478541'   

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
Integrase (Human immunodeficiency virus 1)	BDBM50478541 (CHEMBL468667) Show SMILES OC(COS(O)(=O)=O)C#CC#CCCCCCCC#C\C=C\Br Show InChI InChI=1S/C16H19BrO5S/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)15-22-23(19,20)21/h12,14,16,18H,1-6,15H2,(H,19,20,21)/b14-12+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				J Nat Prod 66: 667-70 (2003) Article DOI: 10.1021/np020544+ BindingDB Entry DOI: 10.7270/Q2RR2212
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