Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50017694'   

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)	BDBM50017694 (CHEMBL3288713) Show SMILES Oc1ccc(cc1O)-c1oc2cc(cc(O)c2c(=O)c1O)N1CCOCC1 Show InChI InChI=1S/C19H17NO7/c21-12-2-1-10(7-13(12)22)19-18(25)17(24)16-14(23)8-11(9-15(16)27-19)20-3-5-26-6-4-20/h1-2,7-9,21-23,25H,3-6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
South China Normal University Curated by ChEMBL					Assay Description Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...				Bioorg Med Chem 22: 3146-58 (2014) Article DOI: 10.1016/j.bmc.2014.04.016 BindingDB Entry DOI: 10.7270/Q2XG9SPQ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017694 (CHEMBL3288713) Show SMILES Oc1ccc(cc1O)-c1oc2cc(cc(O)c2c(=O)c1O)N1CCOCC1 Show InChI InChI=1S/C19H17NO7/c21-12-2-1-10(7-13(12)22)19-18(25)17(24)16-14(23)8-11(9-15(16)27-19)20-3-5-26-6-4-20/h1-2,7-9,21-23,25H,3-6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior t...				Bioorg Med Chem 22: 3146-58 (2014) Article DOI: 10.1016/j.bmc.2014.04.016 BindingDB Entry DOI: 10.7270/Q2XG9SPQ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017694 (CHEMBL3288713) Show SMILES Oc1ccc(cc1O)-c1oc2cc(cc(O)c2c(=O)c1O)N1CCOCC1 Show InChI InChI=1S/C19H17NO7/c21-12-2-1-10(7-13(12)22)19-18(25)17(24)16-14(23)8-11(9-15(16)27-19)20-3-5-26-6-4-20/h1-2,7-9,21-23,25H,3-6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior...				Bioorg Med Chem 22: 3146-58 (2014) Article DOI: 10.1016/j.bmc.2014.04.016 BindingDB Entry DOI: 10.7270/Q2XG9SPQ
					More data for this Ligand-Target Pair