Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 421   

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)	BDBM430 (3-[(2-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl...) Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(O)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H34O5S/c1-16(2)27(12-11-18-7-9-19(28)10-8-18)15-22(30)24(25(31)32-27)33-23-13-17(3)21(29)14-20(23)26(4,5)6/h7-10,13-14,16,24,28-29H,11-12,15H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0300	-62.5	n/a	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2204 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) Show SMILES CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r| Show InChI InChI=1S/C28H36O5S/c1-17(2)28(12-11-19-7-9-21(30)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-29)14-22(24)27(4,5)6/h7-10,13-14,17,25,29-30H,11-12,15-16H2,1-6H3/t25?,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2208 ((6S)-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylph...) Show SMILES CC(C)[C@]1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r| Show InChI InChI=1S/C28H36O4S/c1-18(2)28(13-12-20-10-8-7-9-11-20)16-23(30)25(26(31)32-28)33-24-14-19(3)21(17-29)15-22(24)27(4,5)6/h7-11,14-15,18,25,29H,12-13,16-17H2,1-6H3/t25?,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2206 ((6S)-6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4...) Show SMILES CC(C)[C@]1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r| Show InChI InChI=1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,25,30H,11-12,15-16,29H2,1-6H3/t25?,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2533 (3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...) Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C28H36O5S/c1-17(2)28(12-11-19-7-9-21(30)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-29)14-22(24)27(4,5)6/h7-10,13-14,17,25,29-30H,11-12,15-16H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.170	-58.0	n/a	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2536 (6-Alkyl-6-phenethyldihydropyrone 13y | 6-[2-(4-ami...) Show SMILES CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,25,30H,11-12,15-16,29H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM448 (3-[(2-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl...) Show SMILES CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(O)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H34O4S/c1-17(2)27(13-12-19-10-8-7-9-11-19)16-22(29)24(25(30)31-27)32-23-14-18(3)21(28)15-20(23)26(4,5)6/h7-11,14-15,17,24,28H,12-13,16H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2166 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) Show SMILES CCCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C29H38O4S/c1-6-7-8-16-29(17-15-21-10-12-22(30)13-11-21)19-24(31)26(27(32)33-29)34-25-18-20(2)9-14-23(25)28(3,4)5/h9-14,18,26,30H,6-8,15-17,19H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18.4	-45.9	n/a	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2207 ((6R)-6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4...) Show SMILES CC(C)[C@@]1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r| Show InChI InChI=1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,25,30H,11-12,15-16,29H2,1-6H3/t25?,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2205 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) Show SMILES CC(C)[C@@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r| Show InChI InChI=1S/C28H36O5S/c1-17(2)28(12-11-19-7-9-21(30)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-29)14-22(24)27(4,5)6/h7-10,13-14,17,25,29-30H,11-12,15-16H2,1-6H3/t25?,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2209 ((6R)-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylph...) Show SMILES CC(C)[C@@]1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r| Show InChI InChI=1S/C28H36O4S/c1-18(2)28(13-12-20-10-8-7-9-11-20)16-23(30)25(26(31)32-28)33-24-14-19(3)21(17-29)15-22(24)27(4,5)6/h7-11,14-15,18,25,29H,12-13,16-17H2,1-6H3/t25?,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2179 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CC2)c(cc1CO)C(C)(C)C Show InChI InChI=1S/C28H34O5S/c1-17-13-24(22(27(2,3)4)14-19(17)16-29)34-25-23(31)15-28(20-7-8-20,33-26(25)32)12-11-18-5-9-21(30)10-6-18/h5-6,9-10,13-14,20,25,29-30H,7-8,11-12,15-16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2198 ((3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydrox...) Show SMILES CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H34O3S/c1-18(2)27(15-14-20-10-8-7-9-11-20)17-22(28)24(25(29)30-27)31-23-16-19(3)12-13-21(23)26(4,5)6/h7-13,16,18,24H,14-15,17H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2180 (3-(2- tert -Butyl-4-hydroxymethyl -5-methyl-phenyl...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCC2)c(cc1CO)C(C)(C)C Show InChI InChI=1S/C29H36O5S/c1-18-14-25(23(28(2,3)4)15-20(18)17-30)35-26-24(32)16-29(34-27(26)33,21-6-5-7-21)13-12-19-8-10-22(31)11-9-19/h8-11,14-15,21,26,30-31H,5-7,12-13,16-17H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2200 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) Show SMILES CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C28H36O4S/c1-18(2)28(13-12-20-10-8-7-9-11-20)16-23(30)25(26(31)32-28)33-24-14-19(3)21(17-29)15-22(24)27(4,5)6/h7-11,14-15,18,25,29H,12-13,16-17H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2532 (3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c(cc1CO)C(C)(C)C Show InChI InChI=1S/C31H40O5S/c1-20-16-27(25(30(2,3)4)17-22(20)19-32)37-28-26(34)18-31(36-29(28)35,23-8-6-5-7-9-23)15-14-21-10-12-24(33)13-11-21/h10-13,16-17,23,28,32-33H,5-9,14-15,18-19H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2174 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) Show SMILES CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C28H36O5S/c1-6-12-28(13-11-19-7-9-21(30)10-8-19)16-23(31)25(26(32)33-28)34-24-14-18(2)20(17-29)15-22(24)27(3,4)5/h7-10,14-15,25,29-30H,6,11-13,16-17H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2203 ((3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phe...) Show SMILES CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C29H38O5S/c1-19(2)29(13-12-21-10-8-7-9-11-21)18-23(31)26(27(32)34-29)35-25-16-20(3)24(33-15-14-30)17-22(25)28(4,5)6/h7-11,16-17,19,26,30H,12-15,18H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2536 (6-Alkyl-6-phenethyldihydropyrone 13y | 6-[2-(4-ami...) Show SMILES CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,25,30H,11-12,15-16,29H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2191 ((3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phe...) Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C29H38O6S/c1-18(2)29(12-11-20-7-9-21(31)10-8-20)17-23(32)26(27(33)35-29)36-25-15-19(3)24(34-14-13-30)16-22(25)28(4,5)6/h7-10,15-16,18,26,30-31H,11-14,17H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2193 ((3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phe...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCC2)c(cc1OCCO)C(C)(C)C Show InChI InChI=1S/C31H40O6S/c1-20-17-27(24(30(2,3)4)18-26(20)36-16-15-32)38-28-25(34)19-31(37-29(28)35,22-7-5-6-8-22)14-13-21-9-11-23(33)12-10-21/h9-12,17-18,22,28,32-33H,5-8,13-16,19H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2196 (6-[2-(4-Aminophenyl)-ethyl]-(3-(2-tert-butyl-4-hyd...) Show SMILES CC(C)CC1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C29H39NO4S/c1-18(2)15-29(12-11-20-7-9-22(30)10-8-20)16-24(32)26(27(33)34-29)35-25-13-19(3)21(17-31)14-23(25)28(4,5)6/h7-10,13-14,18,26,31H,11-12,15-17,30H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2190 ((3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phe...) Show SMILES CCCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C31H42O6S/c1-6-7-8-14-31(15-13-22-9-11-23(33)12-10-22)20-25(34)28(29(35)37-31)38-27-18-21(2)26(36-17-16-32)19-24(27)30(3,4)5/h9-12,18-19,28,32-33H,6-8,13-17,20H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2185 (3-(2-tert-Butyl-4-hydroxy-5-methyl-phenylsulfanyl)...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c(cc1O)C(C)(C)C Show InChI InChI=1S/C30H38O5S/c1-19-16-26(23(17-24(19)32)29(2,3)4)36-27-25(33)18-30(35-28(27)34,21-8-6-5-7-9-21)15-14-20-10-12-22(31)13-11-20/h10-13,16-17,21,27,31-32H,5-9,14-15,18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2524 (6-Phenyl-6-phenethyldihydropyrone 13m | 6-[2-(4-am...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(N)cc3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C Show InChI InChI=1S/C31H35NO4S/c1-20-16-27(25(30(2,3)4)17-22(20)19-33)37-28-26(34)18-31(36-29(28)35,23-8-6-5-7-9-23)15-14-21-10-12-24(32)13-11-21/h5-13,16-17,28,33H,14-15,18-19,32H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2181 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCC2)c(cc1CO)C(C)(C)C Show InChI InChI=1S/C30H38O5S/c1-19-15-26(24(29(2,3)4)16-21(19)18-31)36-27-25(33)17-30(35-28(27)34,22-7-5-6-8-22)14-13-20-9-11-23(32)12-10-20/h9-12,15-16,22,27,31-32H,5-8,13-14,17-18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2535 (6-Alkyl-6-phenethyldihydropyrone 13x | 6-[2-(4-ami...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(N)cc3)(OC2=O)C2CCCCC2)c(cc1CO)C(C)(C)C Show InChI InChI=1S/C31H41NO4S/c1-20-16-27(25(30(2,3)4)17-22(20)19-33)37-28-26(34)18-31(36-29(28)35,23-8-6-5-7-9-23)15-14-21-10-12-24(32)13-11-21/h10-13,16-17,23,28,33H,5-9,14-15,18-19,32H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2178 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) Show SMILES CC(C)CC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C29H38O5S/c1-18(2)15-29(12-11-20-7-9-22(31)10-8-20)16-24(32)26(27(33)34-29)35-25-13-19(3)21(17-30)14-23(25)28(4,5)6/h7-10,13-14,18,26,30-31H,11-12,15-17H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2533 (3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...) Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C28H36O5S/c1-17(2)28(12-11-19-7-9-21(30)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-29)14-22(24)27(4,5)6/h7-10,13-14,17,25,29-30H,11-12,15-16H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2192 ((3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phe...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CC2)c(cc1OCCO)C(C)(C)C Show InChI InChI=1S/C29H36O6S/c1-18-15-25(22(28(2,3)4)16-24(18)34-14-13-30)36-26-23(32)17-29(20-7-8-20,35-27(26)33)12-11-19-5-9-21(31)10-6-19/h5-6,9-10,15-16,20,26,30-31H,7-8,11-14,17H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2175 (6-Butyl-(3-(2-tert-butyl-4-hydroxymethyl-5-methyl-...) Show SMILES CCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C29H38O5S/c1-6-7-13-29(14-12-20-8-10-22(31)11-9-20)17-24(32)26(27(33)34-29)35-25-15-19(2)21(18-30)16-23(25)28(3,4)5/h8-11,15-16,26,30-31H,6-7,12-14,17-18H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2534 (3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...) Show SMILES Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1CO)C(C)(C)C Show InChI InChI=1S/C26H32O5S/c1-16-12-22(20(25(2,3)4)13-18(16)15-27)32-23-21(29)14-26(5,31-24(23)30)11-10-17-6-8-19(28)9-7-17/h6-9,12-13,23,27-28H,10-11,14-15H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2167 ((3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydrox...) Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H34O4S/c1-17(2)27(14-13-19-8-10-20(28)11-9-19)16-22(29)24(25(30)31-27)32-23-15-18(3)7-12-21(23)26(4,5)6/h7-12,15,17,24,28H,13-14,16H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2176 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) Show SMILES CCCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C30H40O5S/c1-6-7-8-14-30(15-13-21-9-11-23(32)12-10-21)18-25(33)27(28(34)35-30)36-26-16-20(2)22(19-31)17-24(26)29(3,4)5/h9-12,16-17,27,31-32H,6-8,13-15,18-19H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2188 ((3-(2-tert-Butyl-4-(2-methoxymethoxy-ethoxy)-5-met...) Show SMILES CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C29H38O6S/c1-6-12-29(13-11-20-7-9-21(31)10-8-20)18-23(32)26(27(33)35-29)36-25-16-19(2)24(34-15-14-30)17-22(25)28(3,4)5/h7-10,16-17,26,30-31H,6,11-15,18H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2189 ((3-(2-tert-Butyl-4-(2-hydroxy-ethoxy)-5-methyl-phe...) Show SMILES CCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C30H40O6S/c1-6-7-13-30(14-12-21-8-10-22(32)11-9-21)19-24(33)27(28(34)36-30)37-26-17-20(2)25(35-16-15-31)18-23(26)29(3,4)5/h8-11,17-18,27,31-32H,6-7,12-16,19H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2515 (3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C Show InChI InChI=1S/C31H34O4S/c1-21-17-27(25(30(2,3)4)18-23(21)20-32)36-28-26(33)19-31(35-29(28)34,24-13-9-6-10-14-24)16-15-22-11-7-5-8-12-22/h5-14,17-18,28,32H,15-16,19-20H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2183 ((3-(2-tert-Butyl-4-hydroxy-5-methyl-phenylsulfanyl...) Show SMILES Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1O)C(C)(C)C Show InChI InChI=1S/C25H30O5S/c1-15-12-21(18(13-19(15)27)24(2,3)4)31-22-20(28)14-25(5,30-23(22)29)11-10-16-6-8-17(26)9-7-16/h6-9,12-13,22,26-27H,10-11,14H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2186 ((3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydrox...) Show SMILES Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1OCCO)C(C)(C)C Show InChI InChI=1S/C27H34O6S/c1-17-14-23(20(26(2,3)4)15-22(17)32-13-12-28)34-24-21(30)16-27(5,33-25(24)31)11-10-18-6-8-19(29)9-7-18/h6-9,14-15,24,28-29H,10-13,16H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2514 (3-{[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylpheny...) Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1OCCO)C(C)(C)C Show InChI InChI=1S/C32H36O5S/c1-22-19-28(25(31(2,3)4)20-27(22)36-18-17-33)38-29-26(34)21-32(37-30(29)35,24-13-9-6-10-14-24)16-15-23-11-7-5-8-12-23/h5-14,19-20,29,33H,15-18,21H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2169 ((3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydrox...) Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCC2)c1)C(C)(C)C Show InChI InChI=1S/C29H36O4S/c1-19-9-14-23(28(2,3)4)25(17-19)34-26-24(31)18-29(33-27(26)32,21-7-5-6-8-21)16-15-20-10-12-22(30)13-11-20/h9-14,17,21,26,30H,5-8,15-16,18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2168 ((3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-6-cyclop...) Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CC2)c1)C(C)(C)C Show InChI InChI=1S/C27H32O4S/c1-17-5-12-21(26(2,3)4)23(15-17)32-24-22(29)16-27(19-8-9-19,31-25(24)30)14-13-18-6-10-20(28)11-7-18/h5-7,10-12,15,19,24,28H,8-9,13-14,16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2163 ((3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydrox...) Show SMILES Cc1ccc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c1)C(C)(C)C Show InChI InChI=1S/C25H30O4S/c1-16-6-11-19(24(2,3)4)21(14-16)30-22-20(27)15-25(5,29-23(22)28)13-12-17-7-9-18(26)10-8-17/h6-11,14,22,26H,12-13,15H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2517 (3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydrox...) Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)c2ccccc2)c1)C(C)(C)C Show InChI InChI=1S/C30H32O4S/c1-20-10-15-24(29(2,3)4)26(18-20)35-27-25(32)19-30(34-28(27)33,22-8-6-5-7-9-22)17-16-21-11-13-23(31)14-12-21/h5-15,18,27,31H,16-17,19H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2164 ((3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydrox...) Show SMILES CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H34O4S/c1-6-14-27(15-13-19-8-10-20(28)11-9-19)17-22(29)24(25(30)31-27)32-23-16-18(2)7-12-21(23)26(3,4)5/h7-12,16,24,28H,6,13-15,17H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2187 ((3-(2-tert-Butyl-4-(2-methoxymethoxy-ethoxy)-5-met...) Show SMILES COCOCCOc1cc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)cc1C)C(C)(C)C Show InChI InChI=1S/C29H38O7S/c1-19-15-25(22(28(2,3)4)16-24(19)35-14-13-34-18-33-6)37-26-23(31)17-29(5,36-27(26)32)12-11-20-7-9-21(30)10-8-20/h7-10,15-16,26,30H,11-14,17-18H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2165 (6-Butyl-(3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-...) Show SMILES CCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C28H36O4S/c1-6-7-15-28(16-14-20-9-11-21(29)12-10-20)18-23(30)25(26(31)32-28)33-24-17-19(2)8-13-22(24)27(3,4)5/h8-13,17,25,29H,6-7,14-16,18H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2170 (3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-6-cyclohe...) Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c1)C(C)(C)C Show InChI InChI=1S/C30H38O4S/c1-20-10-15-24(29(2,3)4)26(18-20)35-27-25(32)19-30(34-28(27)33,22-8-6-5-7-9-22)17-16-21-11-13-23(31)14-12-21/h10-15,18,22,27,31H,5-9,16-17,19H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2171 ((3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydrox...) Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)OC2=O)c1)C(C)(C)C Show InChI InChI=1S/C24H28O4S/c1-15-5-12-19(24(2,3)4)21(13-15)29-22-20(26)14-18(28-23(22)27)11-8-16-6-9-17(25)10-7-16/h5-7,9-10,12-13,18,22,25H,8,11,14H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	338	n/a	n/a	n/a	n/a	6.2	37
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2200 ((3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsu...) Show SMILES CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C28H36O4S/c1-18(2)28(13-12-20-10-8-7-9-11-20)16-23(30)25(26(31)32-28)33-24-14-19(3)21(17-29)15-22(24)27(4,5)6/h7-11,14-15,18,25,29H,12-13,16-17H2,1-6H3	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	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...				Bioorg Med Chem 7: 2775-800 (1999) Article DOI: 10.1016/s0968-0896(99)00215-1 BindingDB Entry DOI: 10.7270/Q21C1V2B
					More data for this Ligand-Target Pair