Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50453729'   

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)	BDBM50453729 (CHEMBL4206186) Show SMILES Oc1ccc(\C=C\S(=O)(=O)CCc2ccc(NC(=O)C3CCCCC3)cc2)cc1O Show InChI InChI=1S/C23H27NO5S/c25-21-11-8-18(16-22(21)26)13-15-30(28,29)14-12-17-6-9-20(10-7-17)24-23(27)19-4-2-1-3-5-19/h6-11,13,15-16,19,25-26H,1-5,12,14H2,(H,24,27)/b15-13+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Binding affinity to HIV1 integrase by surface plasma resonance method				Bioorg Med Chem 25: 1076-1084 (2017) Article DOI: 10.1016/j.bmc.2016.12.035 BindingDB Entry DOI: 10.7270/Q2SX6GTW
					More data for this Ligand-Target Pair