Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'wolfe' and Initial = 'al'   

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)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123468 (CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -is...) Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1 Show InChI InChI=1S/C26H23N3O4S/c30-25(24-26(31)23-21(16-28-24)8-4-9-27-23)22-14-19(12-18-6-2-1-3-7-18)13-20(15-22)17-29-10-5-11-34(29,32)33/h1-4,6-9,13-16,31H,5,10-12,17H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					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
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					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
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50023917 (CHEMBL147147) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccc(F)cc2)c1 Show InChI InChI=1S/C17H13FO4/c18-14-6-4-11(5-7-14)8-12-2-1-3-13(9-12)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50023918 (CHEMBL357909) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2Cl)c1 Show InChI InChI=1S/C17H13ClO4/c18-14-7-2-1-5-12(14)8-11-4-3-6-13(9-11)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50023916 (CHEMBL145335) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2cccc(Cl)c2)c1 Show InChI InChI=1S/C17H13ClO4/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	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50023915 (CHEMBL343646) Show SMILES CC(C)Oc1ccc(Cc2ccccc2)cc1C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C20H20O5/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24/h3-9,11,13H,10,12H2,1-2H3,(H,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was determined against recombinant HIV-1 Integrase (0.1 uM) in strand transfer enzyme assay				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095515 (4-[3-(2-Fluoro-benzyl)-phenyl]-2,4-dioxo-butyric a...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C17H13FO4/c18-14-7-2-1-5-12(14)8-11-4-3-6-13(9-11)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					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	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50023914 (CHEMBL148241) Show SMILES CCOc1ccc(Cc2ccccc2)cc1C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C19H18O5/c1-2-24-18-9-8-14(10-13-6-4-3-5-7-13)11-15(18)16(20)12-17(21)19(22)23/h3-9,11H,2,10,12H2,1H3,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					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	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					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	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					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	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095513 (4-(5-Benzyl-thiophen-3-yl)-2,4-dioxo-butyric acid ...) Show SMILES OC(=O)C(=O)CC(=O)c1csc(Cc2ccccc2)c1 Show InChI InChI=1S/C15H12O4S/c16-13(8-14(17)15(18)19)11-7-12(20-9-11)6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					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	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					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	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					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	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					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	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					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
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					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	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095508 (4-(1-Benzyl-1H-pyrrol-3-yl)-2,4-dioxo-butyric acid...) Show SMILES OC(=O)C(=O)CC(=O)c1ccn(Cc2ccccc2)c1 Show InChI InChI=1S/C15H13NO4/c17-13(8-14(18)15(19)20)12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					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
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					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
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095500 (4-[3-(4-Chloro-benzyl)-phenyl]-2,4-dioxo-butyric a...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C17H13ClO4/c18-14-6-4-11(5-7-14)8-12-2-1-3-13(9-12)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095503 (4-(2-Benzyl-phenyl)-2,4-dioxo-butyric acid | CHEMB...) Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1Cc1ccccc1 Show InChI InChI=1S/C17H14O4/c18-15(11-16(19)17(20)21)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.				J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123468 (CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -is...) Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1 Show InChI InChI=1S/C26H23N3O4S/c30-25(24-26(31)23-21(16-28-24)8-4-9-27-23)22-14-19(12-18-6-2-1-3-7-18)13-20(15-22)17-29-10-5-11-34(29,32)33/h1-4,6-9,13-16,31H,5,10-12,17H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Potency of compound was tested against HIV-1- containing integrase mutations (NL4-3)				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123468 (CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -is...) Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1 Show InChI InChI=1S/C26H23N3O4S/c30-25(24-26(31)23-21(16-28-24)8-4-9-27-23)22-14-19(12-18-6-2-1-3-7-18)13-20(15-22)17-29-10-5-11-34(29,32)33/h1-4,6-9,13-16,31H,5,10-12,17H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>800	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Potency of compound was tested against HIV-1- containing integrase mutations (T66I, S153Y)				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					More data for this Ligand-Target Pair