Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50479102'   

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)	BDBM50479102 (CHEMBL512195) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O Show InChI InChI=1S/C20H14FNO5/c21-13-7-5-12(6-8-13)10-22-11-15(17(23)9-18(24)20(26)27)19(25)14-3-1-2-4-16(14)22/h1-9,11,24H,10H2,(H,26,27)/b18-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	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)	BDBM50479102 (CHEMBL512195) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O Show InChI InChI=1S/C20H14FNO5/c21-13-7-5-12(6-8-13)10-22-11-15(17(23)9-18(24)20(26)27)19(25)14-3-1-2-4-16(14)22/h1-9,11,24H,10H2,(H,26,27)/b18-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	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)	BDBM50479102 (CHEMBL512195) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O Show InChI InChI=1S/C20H14FNO5/c21-13-7-5-12(6-8-13)10-22-11-15(17(23)9-18(24)20(26)27)19(25)14-3-1-2-4-16(14)22/h1-9,11,24H,10H2,(H,26,27)/b18-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	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