Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50479105'   

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)	BDBM50479105 (CHEMBL458275) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O Show InChI InChI=1S/C22H17F2NO5/c1-2-30-22(29)20(27)10-19(26)17-12-25(11-13-3-5-14(23)6-4-13)18-9-15(24)7-8-16(18)21(17)28/h3-10,12,27H,2,11H2,1H3/b20-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	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)	BDBM50479105 (CHEMBL458275) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O Show InChI InChI=1S/C22H17F2NO5/c1-2-30-22(29)20(27)10-19(26)17-12-25(11-13-3-5-14(23)6-4-13)18-9-15(24)7-8-16(18)21(17)28/h3-10,12,27H,2,11H2,1H3/b20-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	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)	BDBM50479105 (CHEMBL458275) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O Show InChI InChI=1S/C22H17F2NO5/c1-2-30-22(29)20(27)10-19(26)17-12-25(11-13-3-5-14(23)6-4-13)18-9-15(24)7-8-16(18)21(17)28/h3-10,12,27H,2,11H2,1H3/b20-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.33E+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