Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50499581'   

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)	BDBM50499581 (CHEMBL3740456) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(cc1)C#N |t:9| Show InChI InChI=1S/C27H23FN2O3/c1-17(31)27(32)15-26-24-14-21(28)8-5-20(24)13-25(19-6-11-23(33-2)12-7-19)30(26)22-9-3-18(16-29)4-10-22/h3-14,17,26,31H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499581 (CHEMBL3740456) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)C(C)O)N1c1ccc(cc1)C#N |t:9| Show InChI InChI=1S/C27H23FN2O3/c1-17(31)27(32)15-26-24-14-21(28)8-5-20(24)13-25(19-6-11-23(33-2)12-7-19)30(26)22-9-3-18(16-29)4-10-22/h3-14,17,26,31H,15H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair