Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50073623'   

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)	BDBM50073623 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OC2CCC(CC2)OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O |(-2.66,-3.51,;-1.31,-4.26,;.02,-3.48,;1.36,-4.24,;1.36,-5.78,;2.7,-6.55,;4.03,-5.78,;5.38,-6.53,;5.39,-8.07,;6.71,-5.76,;8.26,-5.71,;9.06,-7.01,;10.6,-6.97,;11.34,-5.62,;10.53,-4.31,;8.99,-4.35,;12.88,-5.57,;14.22,-4.8,;14.22,-3.26,;15.56,-5.57,;16.89,-4.8,;18.22,-5.57,;18.22,-7.12,;19.56,-7.89,;20.9,-7.12,;22.24,-7.89,;20.89,-5.56,;22.22,-4.79,;19.56,-4.8,;.05,-6.57,;-1.3,-5.81,;-2.63,-6.6,)| 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	1.03E+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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