Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50498959'   

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)	BDBM50498959 (CHEMBL3735455) Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1C(C)C)-c1ccccc1 Show InChI InChI=1S/C27H26N2O7/c1-4-36-26(34)22-23(19-8-6-5-7-9-19)28-27(35)29(24(22)16(2)3)15-17-10-12-18(13-11-17)20(30)14-21(31)25(32)33/h5-14,16,31H,4,15H2,1-3H3,(H,32,33)/b21-14-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Orl£ans et CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...				Eur J Med Chem 104: 127-38 (2015) Article DOI: 10.1016/j.ejmech.2015.09.015 BindingDB Entry DOI: 10.7270/Q2CR5XB5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50498959 (CHEMBL3735455) Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1C(C)C)-c1ccccc1 Show InChI InChI=1S/C27H26N2O7/c1-4-36-26(34)22-23(19-8-6-5-7-9-19)28-27(35)29(24(22)16(2)3)15-17-10-12-18(13-11-17)20(30)14-21(31)25(32)33/h5-14,16,31H,4,15H2,1-3H3,(H,32,33)/b21-14-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Orl£ans et CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...				Eur J Med Chem 104: 127-38 (2015) Article DOI: 10.1016/j.ejmech.2015.09.015 BindingDB Entry DOI: 10.7270/Q2CR5XB5
					More data for this Ligand-Target Pair