Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50499575'   

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)	BDBM50499575 (CHEMBL3740012) Show SMILES [O-][N+](=O)CC1N(C(=Cc2ccc(cc12)[N+]([O-])=O)c1ccccc1)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C22H16ClN3O4/c23-17-7-10-18(11-8-17)25-21(15-4-2-1-3-5-15)12-16-6-9-19(26(29)30)13-20(16)22(25)14-24(27)28/h1-13,22H,14H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	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)	BDBM50499575 (CHEMBL3740012) Show SMILES [O-][N+](=O)CC1N(C(=Cc2ccc(cc12)[N+]([O-])=O)c1ccccc1)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C22H16ClN3O4/c23-17-7-10-18(11-8-17)25-21(15-4-2-1-3-5-15)12-16-6-9-19(26(29)30)13-20(16)22(25)14-24(27)28/h1-13,22H,14H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	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