Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 341   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM771 (3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7...) Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1ccccc1 Show InChI InChI=1S/C21H24O3/c22-20-16-10-6-1-2-7-11-17(16)24-21(23)19(20)18(15-12-13-15)14-8-4-3-5-9-14/h3-5,8-9,15,18,22H,1-2,6-7,10-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	-44.2	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM784 (4-hydroxy-3-(2-methyl-1-phenylpropyl)-2H,5H,6H,7H,...) Show SMILES CC(C)C(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C21H26O3/c1-14(2)18(15-10-6-5-7-11-15)19-20(22)16-12-8-3-4-9-13-17(16)24-21(19)23/h5-7,10-11,14,18,22H,3-4,8-9,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	-43.3	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM783 (4-hydroxy-3-(1-phenylbutyl)-2H,5H,6H,7H,8H,9H,10H-...) Show SMILES CCCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C21H26O3/c1-2-10-16(15-11-6-5-7-12-15)19-20(22)17-13-8-3-4-9-14-18(17)24-21(19)23/h5-7,11-12,16,22H,2-4,8-10,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	-42.6	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM789 (3-(Dicyclopropylmethy1)-5,6,7,8,9,l0-hexahydro-4-d...) Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)C1CC1 Show InChI InChI=1S/C18H24O3/c19-17-13-5-3-1-2-4-6-14(13)21-18(20)16(17)15(11-7-8-11)12-9-10-12/h11-12,15,19H,1-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	57	-40.9	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM786 (4-hydroxy-3-(1-phenylpentyl)-2H,5H,6H,7H,8H,9H,10H...) Show SMILES CCCCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C22H28O3/c1-2-3-13-17(16-11-7-6-8-12-16)20-21(23)18-14-9-4-5-10-15-19(18)25-22(20)24/h6-8,11-12,17,23H,2-5,9-10,13-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	-40.7	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM782 (4-hydroxy-3-(1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H...) Show SMILES CCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C20H24O3/c1-2-15(14-10-6-5-7-11-14)18-19(21)16-12-8-3-4-9-13-17(16)23-20(18)22/h5-7,10-11,15,21H,2-4,8-9,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	75	-40.3	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM787 (4-hydroxy-3-(3-methyl-1-phenylbutyl)-2H,5H,6H,7H,8...) Show SMILES CC(C)CC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C22H28O3/c1-15(2)14-18(16-10-6-5-7-11-16)20-21(23)17-12-8-3-4-9-13-19(17)25-22(20)24/h5-7,10-11,15,18,23H,3-4,8-9,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	-39.8	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM788 (3-(Diphenylmethyl)-5,6,7,8,9,1O-hexahydro-4-hydrox...) Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H24O3/c25-23-19-15-9-1-2-10-16-20(19)27-24(26)22(23)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,21,25H,1-2,9-10,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	-38.1	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM792 (4-hydroxy-3-(3-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H...) Show SMILES Oc1c(CCCc2ccccc2)c(=O)oc2CCCCCCc12 Show InChI InChI=1S/C20H24O3/c21-19-16-12-6-1-2-7-14-18(16)23-20(22)17(19)13-8-11-15-9-4-3-5-10-15/h3-5,9-10,21H,1-2,6-8,11-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM781 (4-hydroxy-3-(1-phenylethyl)-2H,5H,6H,7H,8H,9H,10H-...) Show SMILES CC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C19H22O3/c1-13(14-9-5-4-6-10-14)17-18(20)15-11-7-2-3-8-12-16(15)22-19(17)21/h4-6,9-10,13,20H,2-3,7-8,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM790 (3-benzyl-4-hydroxy-2H,5H,6H,7H,8H,9H,10H-cycloocta...) Show SMILES Oc1c(Cc2ccccc2)c(=O)oc2CCCCCCc12 Show InChI InChI=1S/C18H20O3/c19-17-14-10-6-1-2-7-11-16(14)21-18(20)15(17)12-13-8-4-3-5-9-13/h3-5,8-9,19H,1-2,6-7,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM791 (4-hydroxy-3-(2-phenylethyl)-2H,5H,6H,7H,8H,9H,10H-...) Show SMILES Oc1c(CCc2ccccc2)c(=O)oc2CCCCCCc12 Show InChI InChI=1S/C19H22O3/c20-18-15-10-6-1-2-7-11-17(15)22-19(21)16(18)13-12-14-8-4-3-5-9-14/h3-5,8-9,20H,1-2,6-7,10-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 1884-91 (1995) Article DOI: 10.1021/jm00011a008 BindingDB Entry DOI: 10.7270/Q2Q81B80
					More data for this Ligand-Target Pair