Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50073642'   

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)	BDBM50073642 ((Z)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(Z)-3...) Show SMILES Oc1ccc(\C=C/C(=O)OC2CCC(CC2)OC(=O)\C=C/c2ccc(O)c(O)c2)cc1O |(2.82,-12.69,;2.78,-11.15,;4.09,-10.34,;4.04,-8.83,;2.71,-8.06,;2.69,-6.54,;4.02,-5.76,;5.37,-6.52,;5.37,-8.06,;6.7,-5.75,;8.24,-5.69,;9.04,-7,;10.58,-6.95,;11.32,-5.61,;10.51,-4.3,;8.97,-4.34,;12.86,-5.56,;14.19,-4.79,;14.19,-3.25,;15.52,-5.56,;16.85,-4.79,;16.85,-3.25,;18.2,-2.48,;18.2,-.94,;16.85,-.17,;16.85,1.37,;15.52,-.96,;14.19,-.17,;15.52,-2.48,;1.38,-8.87,;1.42,-10.41,;.1,-11.21,)| Show InChI InChI=1S/C24H24O8/c25-19-9-1-15(13-21(19)27)3-11-23(29)31-17-5-7-18(8-6-17)32-24(30)12-4-16-2-10-20(26)22(28)14-16/h1-4,9-14,17-18,25-28H,5-8H2/b11-3-,12-4-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.				J Med Chem 42: 497-509 (1999) Article DOI: 10.1021/jm9804735 BindingDB Entry DOI: 10.7270/Q2G161J5
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