Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50184349'   

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)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MnCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by plate-based electrochemiluminescent assay				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by gel-based assay				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli BL21 (DE3) by gel based assay in presence of magnesium				Bioorg Med Chem Lett 19: 4806-9 (2009) Article DOI: 10.1016/j.bmcl.2009.06.044 BindingDB Entry DOI: 10.7270/Q2862K73
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-processing activity in presence of MnCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-processing activity expressed in Escherichia coli BL21 (DE3) by gel based assay in presence of magnesium				Bioorg Med Chem Lett 19: 4806-9 (2009) Article DOI: 10.1016/j.bmcl.2009.06.044 BindingDB Entry DOI: 10.7270/Q2862K73
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-processing activity in presence of MgCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair