Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50479096'   

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)	BDBM50479096 (CHEMBL498713) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O Show InChI InChI=1S/C20H12Cl2FNO5/c21-14-5-12-16(6-15(14)22)24(8-10-1-3-11(23)4-2-10)9-13(19(12)27)17(25)7-18(26)20(28)29/h1-7,9,26H,8H2,(H,28,29)/b18-7-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in ...				J Med Chem 58: 4610-23 (2015) Article DOI: 10.1021/acs.jmedchem.5b00159 BindingDB Entry DOI: 10.7270/Q2QC06H4
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479096 (CHEMBL498713) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O Show InChI InChI=1S/C20H12Cl2FNO5/c21-14-5-12-16(6-15(14)22)24(8-10-1-3-11(23)4-2-10)9-13(19(12)27)17(25)7-18(26)20(28)29/h1-7,9,26H,8H2,(H,28,29)/b18-7-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	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)	BDBM50479096 (CHEMBL498713) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O Show InChI InChI=1S/C20H12Cl2FNO5/c21-14-5-12-16(6-15(14)22)24(8-10-1-3-11(23)4-2-10)9-13(19(12)27)17(25)7-18(26)20(28)29/h1-7,9,26H,8H2,(H,28,29)/b18-7-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	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)	BDBM50479096 (CHEMBL498713) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O Show InChI InChI=1S/C20H12Cl2FNO5/c21-14-5-12-16(6-15(14)22)24(8-10-1-3-11(23)4-2-10)9-13(19(12)27)17(25)7-18(26)20(28)29/h1-7,9,26H,8H2,(H,28,29)/b18-7-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+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
Integrase (Human immunodeficiency virus 1)	BDBM50479096 (CHEMBL498713) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O Show InChI InChI=1S/C20H12Cl2FNO5/c21-14-5-12-16(6-15(14)22)24(8-10-1-3-11(23)4-2-10)9-13(19(12)27)17(25)7-18(26)20(28)29/h1-7,9,26H,8H2,(H,28,29)/b18-7-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase assessed as inhibition of 3'-processing activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in pr...				J Med Chem 58: 4610-23 (2015) Article DOI: 10.1021/acs.jmedchem.5b00159 BindingDB Entry DOI: 10.7270/Q2QC06H4
					More data for this Ligand-Target Pair