Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50014672   

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)	BDBM50145956 ((Z)-4-(3-{4-[3-(3-Carboxy-3-hydroxy-acryloyl)-phen...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccc(COc3cccc(c3)C(=O)CC(=O)C(O)=O)cc2)c1 Show InChI InChI=1S/C28H22O10/c29-23(13-25(31)27(33)34)19-3-1-5-21(11-19)37-15-17-7-9-18(10-8-17)16-38-22-6-2-4-20(12-22)24(30)14-26(32)28(35)36/h1-12H,13-16H2,(H,33,34)(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145950 ((Z)-4-{3-[[3-(3-Carboxy-3-hydroxy-acryloyl)-phenyl...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)C(c1cccc(c1)C(=O)CC(=O)C(O)=O)c1ccccc1F Show InChI InChI=1S/C27H19FO8/c28-20-10-2-1-9-19(20)25(17-7-3-5-15(11-17)21(29)13-23(31)26(33)34)18-8-4-6-16(12-18)22(30)14-24(32)27(35)36/h1-12,25H,13-14H2,(H,33,34)(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145958 ((Z)-4-(3-{2-[3-(3-Carboxy-3-hydroxy-acryloyl)-phen...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2COc2cccc(c2)C(=O)CC(=O)C(O)=O)c1 Show InChI InChI=1S/C28H22O10/c29-23(13-25(31)27(33)34)17-7-3-9-21(11-17)37-15-19-5-1-2-6-20(19)16-38-22-10-4-8-18(12-22)24(30)14-26(32)28(35)36/h1-12H,13-16H2,(H,33,34)(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					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	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145953 ((Z)-4-[3-(2-Fluoro-benzyl)-phenyl]-2-hydroxy-4-oxo...) Show SMILES Fc1ccccc1Cc1cccc(c1)C(=O)CC(=O)C(=O)NCCCCCNC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C39H36F2N2O6/c40-32-16-4-2-12-28(32)20-26-10-8-14-30(22-26)34(44)24-36(46)38(48)42-18-6-1-7-19-43-39(49)37(47)25-35(45)31-15-9-11-27(23-31)21-29-13-3-5-17-33(29)41/h2-5,8-17,22-23H,1,6-7,18-21,24-25H2,(H,42,48)(H,43,49)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145954 ((Z)-4-[3-(2-Fluoro-benzyl)-phenyl]-2-hydroxy-4-oxo...) Show SMILES Fc1ccccc1Cc1cccc(c1)C(=O)CC(=O)C(=O)NCCCNC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C37H32F2N2O6/c38-30-14-3-1-10-26(30)18-24-8-5-12-28(20-24)32(42)22-34(44)36(46)40-16-7-17-41-37(47)35(45)23-33(43)29-13-6-9-25(21-29)19-27-11-2-4-15-31(27)39/h1-6,8-15,20-21H,7,16-19,22-23H2,(H,40,46)(H,41,47)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145948 ((Z)-4-[3-(2-Fluoro-benzyl)-phenyl]-2-hydroxy-4-oxo...) Show SMILES Fc1ccccc1Cc1cccc(c1)C(=O)CC(=O)C(=O)NCCNC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C36H30F2N2O6/c37-29-13-3-1-9-25(29)17-23-7-5-11-27(19-23)31(41)21-33(43)35(45)39-15-16-40-36(46)34(44)22-32(42)28-12-6-8-24(20-28)18-26-10-2-4-14-30(26)38/h1-14,19-20H,15-18,21-22H2,(H,39,45)(H,40,46)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145957 ((Z)-4-(3-{3-[3-(3-Carboxy-3-hydroxy-acryloyl)-phen...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cccc(COc3cccc(c3)C(=O)CC(=O)C(O)=O)c2)c1 Show InChI InChI=1S/C28H22O10/c29-23(13-25(31)27(33)34)19-6-2-8-21(11-19)37-15-17-4-1-5-18(10-17)16-38-22-9-3-7-20(12-22)24(30)14-26(32)28(35)36/h1-12H,13-16H2,(H,33,34)(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					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	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145955 ((Z)-4-[3-(2-Fluoro-benzyl)-phenyl]-2-hydroxy-4-oxo...) Show SMILES Fc1ccccc1Cc1cccc(c1)C(=O)CC(=O)C(=O)NCCCCCCNC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C40H38F2N2O6/c41-33-17-5-3-13-29(33)21-27-11-9-15-31(23-27)35(45)25-37(47)39(49)43-19-7-1-2-8-20-44-40(50)38(48)26-36(46)32-16-10-12-28(24-32)22-30-14-4-6-18-34(30)42/h3-6,9-18,23-24H,1-2,7-8,19-22,25-26H2,(H,43,49)(H,44,50)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair