Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50016995   

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)	BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176113 ((Z)-4-[1-(4-Fluoro-benzyl)-1H-indol-3-yl]-2-hydrox...) Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C19H14FNO4/c20-13-7-5-12(6-8-13)10-21-11-15(14-3-1-2-4-16(14)21)17(22)9-18(23)19(24)25/h1-8,11H,9-10H2,(H,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176116 ((Z)-4-[1-(4-Fluoro-benzyl)-5-methoxy-1H-indol-3-yl...) Show SMILES COc1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c2c1 Show InChI InChI=1S/C20H16FNO5/c1-27-14-6-7-17-15(8-14)16(18(23)9-19(24)20(25)26)11-22(17)10-12-2-4-13(21)5-3-12/h2-8,11H,9-10H2,1H3,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176117 ((Z)-4-(1-Benzyl-5-chloro-1H-indol-3-yl)-2-hydroxy-...) Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H14ClNO4/c20-13-6-7-16-14(8-13)15(17(22)9-18(23)19(24)25)11-21(16)10-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23400 ((2Z)-4-(3-benzylphenyl)-2-hydroxy-4-oxobut-2-enoic...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2)c1 Show InChI InChI=1S/C17H14O4/c18-15(11-16(19)17(20)21)14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(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	10	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176126 ((Z)-4-[5-Chloro-1-(4-fluoro-benzyl)-1H-indol-3-yl]...) Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H13ClFNO4/c20-12-3-6-16-14(7-12)15(17(23)8-18(24)19(25)26)10-22(16)9-11-1-4-13(21)5-2-11/h1-7,10H,8-9H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176113 ((Z)-4-[1-(4-Fluoro-benzyl)-1H-indol-3-yl]-2-hydrox...) Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C19H14FNO4/c20-13-7-5-12(6-8-13)10-21-11-15(14-3-1-2-4-16(14)21)17(22)9-18(23)19(24)25/h1-8,11H,9-10H2,(H,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176115 ((Z)-4-(1-Benzyl-5-methoxy-1H-indol-3-yl)-2-hydroxy...) Show SMILES COc1ccc2n(Cc3ccccc3)cc(C(=O)CC(=O)C(O)=O)c2c1 Show InChI InChI=1S/C20H17NO5/c1-26-14-7-8-17-15(9-14)16(18(22)10-19(23)20(24)25)12-21(17)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,24,25)	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 Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176116 ((Z)-4-[1-(4-Fluoro-benzyl)-5-methoxy-1H-indol-3-yl...) Show SMILES COc1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c2c1 Show InChI InChI=1S/C20H16FNO5/c1-27-14-6-7-17-15(8-14)16(18(23)9-19(24)20(25)26)11-22(17)10-12-2-4-13(21)5-3-12/h2-8,11H,9-10H2,1H3,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23398 ((2Z)-1-{5-[(4-fluorophenyl)methyl]furan-2-yl}-3-hy...) Show SMILES Fc1ccc(Cc2ccc(o2)C(=O)CC(=O)c2nnc[nH]2)cc1 Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,9H,7-8H2,(H,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50154408 ((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...) Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176115 ((Z)-4-(1-Benzyl-5-methoxy-1H-indol-3-yl)-2-hydroxy...) Show SMILES COc1ccc2n(Cc3ccccc3)cc(C(=O)CC(=O)C(O)=O)c2c1 Show InChI InChI=1S/C20H17NO5/c1-26-14-7-8-17-15(9-14)16(18(22)10-19(23)20(24)25)12-21(17)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176118 ((Z)-4-(1-Benzyl-5-chloro-1H-indol-3-yl)-2-hydroxy-...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C21H18ClNO4/c1-2-27-21(26)20(25)11-19(24)17-13-23(12-14-6-4-3-5-7-14)18-9-8-15(22)10-16(17)18/h3-10,13H,2,11-12H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50154408 ((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...) Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123469 ((3-Benzyl-phenyl)-(8-hydroxy-[1,6]naphthyridin-7-y...) Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1 Show InChI InChI=1S/C22H16N2O2/c25-21(20-22(26)19-18(14-24-20)10-5-11-23-19)17-9-4-8-16(13-17)12-15-6-2-1-3-7-15/h1-11,13-14,26H,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176129 (CHEMBL380588 | N-[7-(4-Fluoro-benzylcarbamoyl)-8-h...) Show SMILES NC(=O)C(=O)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C18H14FN5O4/c19-10-5-3-9(4-6-10)8-22-17(27)13-14(25)12-11(2-1-7-21-12)16(23-13)24-18(28)15(20)26/h1-7,25H,8H2,(H2,20,26)(H,22,27)(H,23,24,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					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	50	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123471 ((4-Benzyl-pyridin-2-yl)-(8-hydroxy-quinolin-7-yl)-...) Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cc(Cc2ccccc2)ccn1 Show InChI InChI=1S/C22H16N2O2/c25-21(18-9-8-17-7-4-11-24-20(17)22(18)26)19-14-16(10-12-23-19)13-15-5-2-1-3-6-15/h1-12,14,26H,13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176127 ((Z)-4-[5-Chloro-1-(4-fluoro-benzyl)-1H-indol-3-yl]...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C21H17ClFNO4/c1-2-28-21(27)20(26)10-19(25)17-12-24(11-13-3-6-15(23)7-4-13)18-8-5-14(22)9-16(17)18/h3-9,12H,2,10-11H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176117 ((Z)-4-(1-Benzyl-5-chloro-1H-indol-3-yl)-2-hydroxy-...) Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H14ClNO4/c20-13-6-7-16-14(8-13)15(17(22)9-18(23)19(24)25)11-21(16)10-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107681 ((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...) Show SMILES OC(=O)C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 Show InChI InChI=1S/C24H20O6/c25-22(14-23(26)24(27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176132 ((Z)-4-(5-Benzyl-2-methoxy-phenyl)-2-hydroxy-4-oxo-...) Show SMILES COc1ccc(Cc2ccccc2)cc1C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C18H16O5/c1-23-17-8-7-13(9-12-5-3-2-4-6-12)10-14(17)15(19)11-16(20)18(21)22/h2-8,10H,9,11H2,1H3,(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	100	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase 3' strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095510 (4-(3-Benzyl-5-methoxy-phenyl)-2,4-dioxo-butyric ac...) Show SMILES COc1cc(Cc2ccccc2)cc(c1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C18H16O5/c1-23-15-9-13(7-12-5-3-2-4-6-12)8-14(10-15)16(19)11-17(20)18(21)22/h2-6,8-10H,7,11H2,1H3,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176114 ((Z)-4-(1-Benzyl-5-methoxy-1H-indol-3-yl)-2-hydroxy...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccc(OC)cc12 Show InChI InChI=1S/C22H21NO5/c1-3-28-22(26)21(25)12-20(24)18-14-23(13-15-7-5-4-6-8-15)19-10-9-16(27-2)11-17(18)19/h4-11,14H,3,12-13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095516 (4-(3-Benzyl-4-methoxy-phenyl)-2,4-dioxo-butyric ac...) Show SMILES COc1ccc(cc1Cc1ccccc1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C18H16O5/c1-23-17-8-7-13(15(19)11-16(20)18(21)22)10-14(17)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095511 (4-(2-Benzyl-thiophen-3-yl)-2,4-dioxo-butyric acid ...) Show SMILES OC(=O)C(=O)CC(=O)c1ccsc1Cc1ccccc1 Show InChI InChI=1S/C15H12O4S/c16-12(9-13(17)15(18)19)11-6-7-20-14(11)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176126 ((Z)-4-[5-Chloro-1-(4-fluoro-benzyl)-1H-indol-3-yl]...) Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H13ClFNO4/c20-12-3-6-16-14(7-12)15(17(23)8-18(24)19(25)26)10-22(16)9-11-1-4-13(21)5-2-11/h1-7,10H,8-9H2,(H,25,26)	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 Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095507 (4-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-butyric acid...) Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccccc1 Show InChI InChI=1S/C15H13NO4/c17-13(9-14(18)15(19)20)12-7-4-8-16(12)10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176119 ((Z)-4-[1-(4-Fluoro-benzyl)-5-methoxy-1H-indol-3-yl...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C22H20FNO5/c1-3-29-22(27)21(26)11-20(25)18-13-24(12-14-4-6-15(23)7-5-14)19-9-8-16(28-2)10-17(18)19/h4-10,13H,3,11-12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176118 ((Z)-4-(1-Benzyl-5-chloro-1H-indol-3-yl)-2-hydroxy-...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C21H18ClNO4/c1-2-27-21(26)20(25)11-19(24)17-13-23(12-14-6-4-3-5-7-14)18-9-8-15(22)10-16(17)18/h3-10,13H,2,11-12H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095504 (4-[3-(3-Fluoro-benzyl)-phenyl]-2,4-dioxo-butyric a...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C17H13FO4/c18-14-6-2-4-12(9-14)7-11-3-1-5-13(8-11)15(19)10-16(20)17(21)22/h1-6,8-9H,7,10H2,(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	250	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115572 ((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(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	350	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123470 ((3-Benzyl-phenyl)-(8-hydroxy-quinolin-7-yl)-methan...) Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1 Show InChI InChI=1S/C23H17NO2/c25-22(20-12-11-18-10-5-13-24-21(18)23(20)26)19-9-4-8-17(15-19)14-16-6-2-1-3-7-16/h1-13,15,26H,14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176127 ((Z)-4-[5-Chloro-1-(4-fluoro-benzyl)-1H-indol-3-yl]...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C21H17ClFNO4/c1-2-28-21(27)20(26)10-19(25)17-12-24(11-13-3-6-15(23)7-4-13)18-8-5-14(22)9-16(17)18/h3-9,12H,2,10-11H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095502 (4-(5-Benzyl-thiophen-2-yl)-2,4-dioxo-butyric acid ...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2ccccc2)s1 Show InChI InChI=1S/C15H12O4S/c16-12(9-13(17)15(18)19)14-7-6-11(20-14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107693 ((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123472 (7-Benzyl-1,2-dihydroxy-xanthen-9-one | CHEMBL28809...) Show SMILES Oc1ccc2oc3ccc(Cc4ccccc4)cc3c(=O)c2c1O Show InChI InChI=1S/C20H14O4/c21-15-7-9-17-18(20(15)23)19(22)14-11-13(6-8-16(14)24-17)10-12-4-2-1-3-5-12/h1-9,11,21,23H,10H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176114 ((Z)-4-(1-Benzyl-5-methoxy-1H-indol-3-yl)-2-hydroxy...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccc(OC)cc12 Show InChI InChI=1S/C22H21NO5/c1-3-28-22(26)21(25)12-20(24)18-14-23(13-15-7-5-4-6-8-15)19-10-9-16(27-2)11-17(18)19/h4-11,14H,3,12-13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176120 ((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C21H19NO4/c1-2-26-21(25)20(24)12-19(23)17-14-22(13-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,14H,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	760	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176119 ((Z)-4-[1-(4-Fluoro-benzyl)-5-methoxy-1H-indol-3-yl...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C22H20FNO5/c1-3-29-22(27)21(26)11-20(25)18-13-24(12-14-4-6-15(23)7-5-14)19-9-8-16(28-2)10-17(18)19/h4-10,13H,3,11-12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176117 ((Z)-4-(1-Benzyl-5-chloro-1H-indol-3-yl)-2-hydroxy-...) Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H14ClNO4/c20-13-6-7-16-14(8-13)15(17(22)9-18(23)19(24)25)11-21(16)10-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase 3' strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123467 ((3-Benzyl-phenyl)-(3-hydroxy-furo[3,2-b]pyridin-2-...) Show SMILES Oc1c(oc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1 Show InChI InChI=1S/C21H15NO3/c23-19(21-20(24)18-17(25-21)10-5-11-22-18)16-9-4-8-15(13-16)12-14-6-2-1-3-7-14/h1-11,13,24H,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176121 ((Z)-4-[1-(4-Fluoro-benzyl)-1H-indol-3-yl]-2-hydrox...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C21H18FNO4/c1-2-27-21(26)20(25)11-19(24)17-13-23(18-6-4-3-5-16(17)18)12-14-7-9-15(22)10-8-14/h3-10,13H,2,11-12H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115582 ((Z)-4-[4-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-1-2-8(4-3-7)10(16)6-12(18)14(21)22/h1-4H,5-6H2,(H,19,20)(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50115570 ((Z)-2-Hydroxy-4-(1H-indol-3-yl)-4-oxo-but-2-enoic ...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C12H9NO4/c14-10(5-11(15)12(16)17)8-6-13-9-4-2-1-3-7(8)9/h1-4,6,13H,5H2,(H,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176121 ((Z)-4-[1-(4-Fluoro-benzyl)-1H-indol-3-yl]-2-hydrox...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C21H18FNO4/c1-2-27-21(26)20(25)11-19(24)17-13-23(18-6-4-3-5-16(17)18)12-14-7-9-15(22)10-8-14/h3-10,13H,2,11-12H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176126 ((Z)-4-[5-Chloro-1-(4-fluoro-benzyl)-1H-indol-3-yl]...) Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H13ClFNO4/c20-12-3-6-16-14(7-12)15(17(23)8-18(24)19(25)26)10-22(16)9-11-1-4-13(21)5-2-11/h1-7,10H,8-9H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase 3' strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair

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