Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50479091'   

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)	BDBM50479091 (CHEMBL458064) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H18FNO5/c1-2-29-22(28)20(26)11-19(25)17-13-24(12-14-7-9-15(23)10-8-14)18-6-4-3-5-16(18)21(17)27/h3-11,13,26H,2,12H2,1H3/b20-11-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479091 (CHEMBL458064) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H18FNO5/c1-2-29-22(28)20(26)11-19(25)17-13-24(12-14-7-9-15(23)10-8-14)18-6-4-3-5-16(18)21(17)27/h3-11,13,26H,2,12H2,1H3/b20-11-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479091 (CHEMBL458064) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H18FNO5/c1-2-29-22(28)20(26)11-19(25)17-13-24(12-14-7-9-15(23)10-8-14)18-6-4-3-5-16(18)21(17)27/h3-11,13,26H,2,12H2,1H3/b20-11-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase 3'-end processing activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair