Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50073639'   

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)	BDBM50073639 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...) Show SMILES Oc1ccc(\C=C\C(=O)OC2CCCC(C2)OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C24H24O8/c25-19-8-4-15(12-21(19)27)6-10-23(29)31-17-2-1-3-18(14-17)32-24(30)11-7-16-5-9-20(26)22(28)13-16/h4-13,17-18,25-28H,1-3,14H2/b10-6+,11-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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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