Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 901   

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)	BDBM7026 ((4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1,4-benzodioxin-...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCOc3c2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccc2OCCOc2c1 Show InChI InChI=1S/C37H38N2O9/c40-27-7-1-23(2-8-27)21-38-29(17-25-5-11-31-33(19-25)47-15-13-45-31)35(42)36(43)30(18-26-6-12-32-34(20-26)48-16-14-46-32)39(37(38)44)22-24-3-9-28(41)10-4-24/h1-12,19-20,29-30,35-36,40-43H,13-18,21-22H2/t29-,30-,35+,36+/m1/s1	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	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7024 ((4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1,4-benzodioxin-...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCOc3c2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1Cc1ccc2OCCOc2c1 Show InChI InChI=1S/C45H42N2O7/c48-43-37(23-29-11-15-39-41(25-29)53-19-17-51-39)46(27-31-9-13-33-5-1-3-7-35(33)21-31)45(50)47(28-32-10-14-34-6-2-4-8-36(34)22-32)38(44(43)49)24-30-12-16-40-42(26-30)54-20-18-52-40/h1-16,21-22,25-26,37-38,43-44,48-49H,17-20,23-24,27-28H2/t37-,38-,43+,44+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0400	-61.7	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7020 ((4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-b...) Show SMILES Nc1cccc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3cccc(N)c3)C2=O)c1 Show InChI InChI=1S/C37H40N4O7/c38-27-5-1-3-25(15-27)21-40-29(17-23-7-9-31-33(19-23)47-13-11-45-31)35(42)36(43)30(18-24-8-10-32-34(20-24)48-14-12-46-32)41(37(40)44)22-26-4-2-6-28(39)16-26/h1-10,15-16,19-20,29-30,35-36,42-43H,11-14,17-18,21-22,38-39H2/t29-,30-,35+,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0400	-61.7	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7019 ((4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1,4-benzodioxin-...) Show SMILES CC(=O)c1cccc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3cccc(c3)C(C)=O)C2=O)c1 Show InChI InChI=1S/C41H42N2O9/c1-25(44)31-7-3-5-29(17-31)23-42-33(19-27-9-11-35-37(21-27)51-15-13-49-35)39(46)40(47)34(20-28-10-12-36-38(22-28)52-16-14-50-36)43(41(42)48)24-30-6-4-8-32(18-30)26(2)45/h3-12,17-18,21-22,33-34,39-40,46-47H,13-16,19-20,23-24H2,1-2H3/t33-,34-,39+,40+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0400	-61.7	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7028 ((4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1-benzofuran-5-y...) Show SMILES CC(=O)c1cccc(CN2[C@H](Cc3ccc4OCCc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCc4c3)N(Cc3cccc(c3)C(C)=O)C2=O)c1 Show InChI InChI=1S/C41H42N2O7/c1-25(44)31-7-3-5-29(19-31)23-42-35(21-27-9-11-37-33(17-27)13-15-49-37)39(46)40(47)36(22-28-10-12-38-34(18-28)14-16-50-38)43(41(42)48)24-30-6-4-8-32(20-30)26(2)45/h3-12,17-20,35-36,39-40,46-47H,13-16,21-24H2,1-2H3/t35-,36-,39+,40+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0480	-61.3	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7025 ((4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1,4-benzodioxin-...) Show SMILES OCc1ccc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3ccc(CO)cc3)C2=O)cc1 Show InChI InChI=1S/C39H42N2O9/c42-23-27-5-1-25(2-6-27)21-40-31(17-29-9-11-33-35(19-29)49-15-13-47-33)37(44)38(45)32(18-30-10-12-34-36(20-30)50-16-14-48-34)41(39(40)46)22-26-3-7-28(24-43)8-4-26/h1-12,19-20,31-32,37-38,42-45H,13-18,21-24H2/t31-,32-,37+,38+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0500	-61.2	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7029 ((4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-b...) Show SMILES Nc1cccc(CN2[C@H](Cc3ccc4OCCc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCc4c3)N(Cc3cccc(N)c3)C2=O)c1 Show InChI InChI=1S/C37H40N4O5/c38-29-5-1-3-25(17-29)21-40-31(19-23-7-9-33-27(15-23)11-13-45-33)35(42)36(43)32(20-24-8-10-34-28(16-24)12-14-46-34)41(37(40)44)22-26-4-2-6-30(39)18-26/h1-10,15-18,31-32,35-36,42-43H,11-14,19-22,38-39H2/t31-,32-,35+,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.110	-59.1	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7021 ((4R,5S,6S,7R)-1-[(3-aminophenyl)methyl]-4,7-bis(2,...) Show SMILES CNc1cccc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3cccc(N)c3)C2=O)c1 Show InChI InChI=1S/C38H42N4O7/c1-40-29-7-3-5-27(17-29)23-42-31(19-25-9-11-33-35(21-25)49-15-13-47-33)37(44)36(43)30(18-24-8-10-32-34(20-24)48-14-12-46-32)41(38(42)45)22-26-4-2-6-28(39)16-26/h2-11,16-17,20-21,30-31,36-37,40,43-44H,12-15,18-19,22-23,39H2,1H3/t30-,31-,36+,37+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.110	-59.1	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7022 ((4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1,4-benzodioxin-...) Show SMILES CNc1cccc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3cccc(NC)c3)C2=O)c1 Show InChI InChI=1S/C39H44N4O7/c1-40-29-7-3-5-27(17-29)23-42-31(19-25-9-11-33-35(21-25)49-15-13-47-33)37(44)38(45)32(20-26-10-12-34-36(22-26)50-16-14-48-34)43(39(42)46)24-28-6-4-8-30(18-28)41-2/h3-12,17-18,21-22,31-32,37-38,40-41,44-45H,13-16,19-20,23-24H2,1-2H3/t31-,32-,37+,38+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	-58.5	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7030 ((4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1-benzofuran-5-y...) Show SMILES CNc1cccc(CN2[C@H](Cc3ccc4OCCc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCc4c3)N(Cc3cccc(NC)c3)C2=O)c1 Show InChI InChI=1S/C39H44N4O5/c1-40-31-7-3-5-27(19-31)23-42-33(21-25-9-11-35-29(17-25)13-15-47-35)37(44)38(45)34(22-26-10-12-36-30(18-26)14-16-48-36)43(39(42)46)24-28-6-4-8-32(20-28)41-2/h3-12,17-20,33-34,37-38,40-41,44-45H,13-16,21-24H2,1-2H3/t33-,34-,37+,38+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	-57.6	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7023 ((4R,5S,6S,7R)-1,3-bis(cyclopropylmethyl)-4,7-bis(2...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCOc3c2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccc2OCCOc2c1 Show InChI InChI=1S/C31H38N2O7/c34-29-23(13-21-5-7-25-27(15-21)39-11-9-37-25)32(17-19-1-2-19)31(36)33(18-20-3-4-20)24(30(29)35)14-22-6-8-26-28(16-22)40-12-10-38-26/h5-8,15-16,19-20,23-24,29-30,34-35H,1-4,9-14,17-18H2/t23-,24-,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.270	-56.8	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7012 ((4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis(2,3-dihydro-1,4...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCOc3c2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccc2OCCOc2c1 Show InChI InChI=1S/C37H38N2O7/c40-35-29(19-27-11-13-31-33(21-27)45-17-15-43-31)38(23-25-7-3-1-4-8-25)37(42)39(24-26-9-5-2-6-10-26)30(36(35)41)20-28-12-14-32-34(22-28)46-18-16-44-32/h1-14,21-22,29-30,35-36,40-41H,15-20,23-24H2/t29-,30-,35+,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.440	-55.6	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7027 ((4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1,4-benzodioxin-...) Show SMILES CC(=O)c1cc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3ccc(F)c(c3)C(C)=O)C2=O)ccc1F Show InChI InChI=1S/C41H40F2N2O9/c1-23(46)29-15-27(3-7-31(29)42)21-44-33(17-25-5-9-35-37(19-25)53-13-11-51-35)39(48)40(49)34(18-26-6-10-36-38(20-26)54-14-12-52-36)45(41(44)50)22-28-4-8-32(43)30(16-28)24(2)47/h3-10,15-16,19-20,33-34,39-40,48-49H,11-14,17-18,21-22H2,1-2H3/t33-,34-,39+,40+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.640	-54.6	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7018 ((4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis[(...) Show SMILES CN1CCOc2ccc(C[C@@H]3[C@H](O)[C@@H](O)[C@@H](Cc4ccc5OCCN(C)c5c4)N(Cc4ccccc4)C(=O)N3Cc3ccccc3)cc12 Show InChI InChI=1S/C39H44N4O5/c1-40-17-19-47-35-15-13-29(21-31(35)40)23-33-37(44)38(45)34(24-30-14-16-36-32(22-30)41(2)18-20-48-36)43(26-28-11-7-4-8-12-28)39(46)42(33)25-27-9-5-3-6-10-27/h3-16,21-22,33-34,37-38,44-45H,17-20,23-26H2,1-2H3/t33-,34-,37+,38+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	-54.4	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7016 ((4R,5S,6S,7R)-4,7-bis(2H-1,3-benzodioxol-5-ylmethy...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCOc3c2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C35H34N2O7/c38-33-27(15-25-11-13-29-31(17-25)43-21-41-29)36(19-23-7-3-1-4-8-23)35(40)37(20-24-9-5-2-6-10-24)28(34(33)39)16-26-12-14-30-32(18-26)44-22-42-30/h1-14,17-18,27-28,33-34,38-39H,15-16,19-22H2/t27-,28-,33+,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-53.4	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7017 ((4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis(2,3-dihydro-1-b...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCc3c2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccc2OCCc2c1 Show InChI InChI=1S/C37H38N2O5/c40-35-31(21-27-11-13-33-29(19-27)15-17-43-33)38(23-25-7-3-1-4-8-25)37(42)39(24-26-9-5-2-6-10-26)32(36(35)41)22-28-12-14-34-30(20-28)16-18-44-34/h1-14,19-20,31-32,35-36,40-41H,15-18,21-24H2/t31-,32-,35+,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	-53.0	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1676 ((4R,5S,6S,7R)-1,3,4,7-tetrabenzyl-5,6-dihydroxy-1,...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C33H34N2O3/c36-31-29(21-25-13-5-1-6-14-25)34(23-27-17-9-3-10-18-27)33(38)35(24-28-19-11-4-12-20-28)30(32(31)37)22-26-15-7-2-8-16-26/h1-20,29-32,36-37H,21-24H2/t29-,30-,31+,32+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	-50.3	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7015 ((4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis[(3,4-dimethoxyp...) Show SMILES COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)c(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1OC Show InChI InChI=1S/C37H42N2O7/c1-43-31-17-15-27(21-33(31)45-3)19-29-35(40)36(41)30(20-28-16-18-32(44-2)34(22-28)46-4)39(24-26-13-9-6-10-14-26)37(42)38(29)23-25-11-7-5-8-12-25/h5-18,21-22,29-30,35-36,40-41H,19-20,23-24H2,1-4H3/t29-,30-,35+,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.40	-48.7	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7014 ((4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis[(3,5-dimethoxyp...) Show SMILES COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc(OC)c1 Show InChI InChI=1S/C37H42N2O7/c1-43-29-15-27(16-30(21-29)44-2)19-33-35(40)36(41)34(20-28-17-31(45-3)22-32(18-28)46-4)39(24-26-13-9-6-10-14-26)37(42)38(33)23-25-11-7-5-8-12-25/h5-18,21-22,33-36,40-41H,19-20,23-24H2,1-4H3/t33-,34-,35+,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-48.1	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7013 ((4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(n...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3ccccc3c2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccc2ccccc2c1 Show InChI InChI=1S/C41H38N2O3/c44-39-37(25-31-19-21-33-15-7-9-17-35(33)23-31)42(27-29-11-3-1-4-12-29)41(46)43(28-30-13-5-2-6-14-30)38(40(39)45)26-32-20-22-34-16-8-10-18-36(34)24-32/h1-24,37-40,44-45H,25-28H2/t37-,38-,39+,40+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.80	-47.6	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair