Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50014437   

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)	BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142737 ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccccc1 |w:8.7| Show InChI InChI=1S/C17H15NO4/c19-15(11-16(20)17(21)22)9-8-14-7-4-10-18(14)12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142737 ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccccc1 |w:8.7| Show InChI InChI=1S/C17H15NO4/c19-15(11-16(20)17(21)22)9-8-14-7-4-10-18(14)12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142740 ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccccc1 |w:10.9| Show InChI InChI=1S/C19H19NO4/c1-2-24-19(23)18(22)13-17(21)11-10-16-9-6-12-20(16)14-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142740 ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccccc1 |w:10.9| Show InChI InChI=1S/C19H19NO4/c1-2-24-19(23)18(22)13-17(21)11-10-16-9-6-12-20(16)14-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142743 ((E)-6-[1-(4-Methoxy-benzyl)-1H-pyrrol-2-yl]-2,4-di...) Show SMILES COc1ccc(Cn2cccc2C=CC(=O)CC(=O)C(O)=O)cc1 |w:13.14| Show InChI InChI=1S/C18H17NO5/c1-24-16-8-4-13(5-9-16)12-19-10-2-3-14(19)6-7-15(20)11-17(21)18(22)23/h2-10H,11-12H2,1H3,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142743 ((E)-6-[1-(4-Methoxy-benzyl)-1H-pyrrol-2-yl]-2,4-di...) Show SMILES COc1ccc(Cn2cccc2C=CC(=O)CC(=O)C(O)=O)cc1 |w:13.14| Show InChI InChI=1S/C18H17NO5/c1-24-16-8-4-13(5-9-16)12-19-10-2-3-14(19)6-7-15(20)11-17(21)18(22)23/h2-10H,11-12H2,1H3,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142744 ((E)-6-[1-(4-Methoxy-benzyl)-1H-pyrrol-2-yl]-2,4-di...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(OC)cc1 |w:10.9| Show InChI InChI=1S/C20H21NO5/c1-3-26-20(24)19(23)13-17(22)9-8-16-5-4-12-21(16)14-15-6-10-18(25-2)11-7-15/h4-12H,3,13-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142744 ((E)-6-[1-(4-Methoxy-benzyl)-1H-pyrrol-2-yl]-2,4-di...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(OC)cc1 |w:10.9| Show InChI InChI=1S/C20H21NO5/c1-3-26-20(24)19(23)13-17(22)9-8-16-5-4-12-21(16)14-15-6-10-18(25-2)11-7-15/h4-12H,3,13-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142741 ((E)-6-[1-(4-Chloro-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(Cl)cc1 |w:8.7| Show InChI InChI=1S/C17H14ClNO4/c18-13-5-3-12(4-6-13)11-19-9-1-2-14(19)7-8-15(20)10-16(21)17(22)23/h1-9H,10-11H2,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142738 ((E)-6-[1-(4-Chloro-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(Cl)cc1 |w:10.9| Show InChI InChI=1S/C19H18ClNO4/c1-2-25-19(24)18(23)12-17(22)10-9-16-4-3-11-21(16)13-14-5-7-15(20)8-6-14/h3-11H,2,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142741 ((E)-6-[1-(4-Chloro-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(Cl)cc1 |w:8.7| Show InChI InChI=1S/C17H14ClNO4/c18-13-5-3-12(4-6-13)11-19-9-1-2-14(19)7-8-15(20)10-16(21)17(22)23/h1-9H,10-11H2,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142738 ((E)-6-[1-(4-Chloro-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(Cl)cc1 |w:10.9| Show InChI InChI=1S/C19H18ClNO4/c1-2-25-19(24)18(23)12-17(22)10-9-16-4-3-11-21(16)13-14-5-7-15(20)8-6-14/h3-11H,2,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142735 ((E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES Cc1ccc(Cn2cccc2C=CC(=O)CC(=O)C(O)=O)cc1 |w:12.13| Show InChI InChI=1S/C18H17NO4/c1-13-4-6-14(7-5-13)12-19-10-2-3-15(19)8-9-16(20)11-17(21)18(22)23/h2-10H,11-12H2,1H3,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142735 ((E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES Cc1ccc(Cn2cccc2C=CC(=O)CC(=O)C(O)=O)cc1 |w:12.13| Show InChI InChI=1S/C18H17NO4/c1-13-4-6-14(7-5-13)12-19-10-2-3-15(19)8-9-16(20)11-17(21)18(22)23/h2-10H,11-12H2,1H3,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142739 ((E)-6-[1-(4-Nitro-benzyl)-1H-pyrrol-2-yl]-2,4-diox...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(cc1)[N+]([O-])=O |w:10.9| Show InChI InChI=1S/C19H18N2O6/c1-2-27-19(24)18(23)12-17(22)10-9-15-4-3-11-20(15)13-14-5-7-16(8-6-14)21(25)26/h3-11H,2,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142739 ((E)-6-[1-(4-Nitro-benzyl)-1H-pyrrol-2-yl]-2,4-diox...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(cc1)[N+]([O-])=O |w:10.9| Show InChI InChI=1S/C19H18N2O6/c1-2-27-19(24)18(23)12-17(22)10-9-15-4-3-11-20(15)13-14-5-7-16(8-6-14)21(25)26/h3-11H,2,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142736 ((E)-6-[1-(4-Fluoro-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(F)cc1 |w:8.7| Show InChI InChI=1S/C17H14FNO4/c18-13-5-3-12(4-6-13)11-19-9-1-2-14(19)7-8-15(20)10-16(21)17(22)23/h1-9H,10-11H2,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142736 ((E)-6-[1-(4-Fluoro-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(F)cc1 |w:8.7| Show InChI InChI=1S/C17H14FNO4/c18-13-5-3-12(4-6-13)11-19-9-1-2-14(19)7-8-15(20)10-16(21)17(22)23/h1-9H,10-11H2,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142742 ((E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(C)cc1 |w:10.9| Show InChI InChI=1S/C20H21NO4/c1-3-25-20(24)19(23)13-18(22)11-10-17-5-4-12-21(17)14-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142742 ((E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(C)cc1 |w:10.9| Show InChI InChI=1S/C20H21NO4/c1-3-25-20(24)19(23)13-18(22)11-10-17-5-4-12-21(17)14-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142733 ((E)-6-[1-(4-Nitro-benzyl)-1H-pyrrol-2-yl]-2,4-diox...) Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(cc1)[N+]([O-])=O |w:8.7| Show InChI InChI=1S/C17H14N2O6/c20-15(10-16(21)17(22)23)8-7-13-2-1-9-18(13)11-12-3-5-14(6-4-12)19(24)25/h1-9H,10-11H2,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142733 ((E)-6-[1-(4-Nitro-benzyl)-1H-pyrrol-2-yl]-2,4-diox...) Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(cc1)[N+]([O-])=O |w:8.7| Show InChI InChI=1S/C17H14N2O6/c20-15(10-16(21)17(22)23)8-7-13-2-1-9-18(13)11-12-3-5-14(6-4-12)19(24)25/h1-9H,10-11H2,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142734 ((E)-6-[1-(4-Fluoro-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(F)cc1 |w:10.9| Show InChI InChI=1S/C19H18FNO4/c1-2-25-19(24)18(23)12-17(22)10-9-16-4-3-11-21(16)13-14-5-7-15(20)8-6-14/h3-11H,2,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142734 ((E)-6-[1-(4-Fluoro-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(F)cc1 |w:10.9| Show InChI InChI=1S/C19H18FNO4/c1-2-25-19(24)18(23)12-17(22)10-9-16-4-3-11-21(16)13-14-5-7-15(20)8-6-14/h3-11H,2,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair