Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'calabrese' and Initial = 'j'   

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)	BDBM1081 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)m...) Show SMILES ONC(=N)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 |r| Show InChI InChI=1S/C35H38N6O4/c36-33(38-44)28-15-7-13-26(19-28)22-40-30(18-17-24-9-3-1-4-10-24)32(42)31(21-25-11-5-2-6-12-25)41(35(40)43)23-27-14-8-16-29(20-27)34(37)39-45/h1-16,19-20,30-32,42,44-45H,17-18,21-23H2,(H2,36,38)(H2,37,39)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0180	-63.8	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1080 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamido)methyl]...) Show SMILES NC(=O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r| Show InChI InChI=1S/C35H36N4O4/c36-33(41)28-15-7-13-26(19-28)22-38-30(18-17-24-9-3-1-4-10-24)32(40)31(21-25-11-5-2-6-12-25)39(35(38)43)23-27-14-8-16-29(20-27)34(37)42/h1-16,19-20,30-32,40H,17-18,21-23H2,(H2,36,41)(H2,37,42)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0880	-59.7	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1727 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C33H34N2O5/c36-27-15-11-25(12-16-27)21-34-29(19-23-7-3-1-4-8-23)31(38)32(39)30(20-24-9-5-2-6-10-24)35(33(34)40)22-26-13-17-28(37)18-14-26/h1-18,29-32,36-39H,19-22H2/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1726 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(O)c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C33H34N2O5/c36-27-15-7-13-25(17-27)21-34-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)35(33(34)40)22-26-14-8-16-28(37)18-26/h1-18,29-32,36-39H,19-22H2/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1730 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...) Show SMILES OCc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1 |r| Show InChI InChI=1S/C35H38N2O5/c38-23-29-15-7-13-27(17-29)21-36-31(19-25-9-3-1-4-10-25)33(40)34(41)32(20-26-11-5-2-6-12-26)37(35(36)42)22-28-14-8-16-30(18-28)24-39/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1090 ((4R,5R,6R)-1,3-bis[(3-amino-4-fluorophenyl)methyl]...) Show SMILES Nc1cc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(F)c(N)c3)C2=O)ccc1F |r| Show InChI InChI=1S/C33H34F2N4O2/c34-26-14-11-24(17-28(26)36)20-38-30(16-13-22-7-3-1-4-8-22)32(40)31(19-23-9-5-2-6-10-23)39(33(38)41)21-25-12-15-27(35)29(37)18-25/h1-12,14-15,17-18,30-32,40H,13,16,19-21,36-37H2/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.25	-57.0	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1089 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis[(3-hydroxyph...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(O)c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C33H34N2O4/c36-28-15-7-13-26(19-28)22-34-30(18-17-24-9-3-1-4-10-24)32(38)31(21-25-11-5-2-6-12-25)35(33(34)39)23-27-14-8-16-29(37)20-27/h1-16,19-20,30-32,36-38H,17-18,21-23H2/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	-56.5	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1079 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[3-(hydroxy...) Show SMILES OCc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1 |r| Show InChI InChI=1S/C35H38N2O4/c38-24-30-15-7-13-28(19-30)22-36-32(18-17-26-9-3-1-4-10-26)34(40)33(21-27-11-5-2-6-12-27)37(35(36)41)23-29-14-8-16-31(20-29)25-39/h1-16,19-20,32-34,38-40H,17-18,21-25H2/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.490	-55.3	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1702 (Cyclic Cyanoguanidine deriv. 8r | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2cccc(-[#8])c2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2cccc(-[#8])c2)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C34H34N4O4/c35-23-36-34-37(21-26-13-7-15-28(39)17-26)30(19-24-9-3-1-4-10-24)32(41)33(42)31(20-25-11-5-2-6-12-25)38(34)22-27-14-8-16-29(40)18-27/h1-18,30-33,39-42H,19-22H2/t30-,31-,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.720	-54.3	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1723 ((4R,5S,6S,7R)-1,3-bis[(4-aminophenyl)methyl]-4,7-d...) Show SMILES Nc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(N)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C33H36N4O3/c34-27-15-11-25(12-16-27)21-36-29(19-23-7-3-1-4-8-23)31(38)32(39)30(20-24-9-5-2-6-10-24)37(33(36)40)22-26-13-17-28(35)18-14-26/h1-18,29-32,38-39H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1093 ((4R,5R,6R)-Tetrahydro-1,3-bis[(4-fluoro-3-benzamid...) Show SMILES NC(=O)c1cc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(F)c(c3)C(N)=O)C2=O)ccc1F |r| Show InChI InChI=1S/C35H34F2N4O4/c36-28-14-11-24(17-26(28)33(38)43)20-40-30(16-13-22-7-3-1-4-8-22)32(42)31(19-23-9-5-2-6-10-23)41(35(40)45)21-25-12-15-29(37)27(18-25)34(39)44/h1-12,14-15,17-18,30-32,42H,13,16,19-21H2,(H2,38,43)(H2,39,44)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	-52.6	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1078 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-carbomethoxypheny...) Show SMILES COC(=O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)OC)C2=O)c1 |r| Show InChI InChI=1S/C37H38N2O6/c1-44-35(41)30-17-9-15-28(21-30)24-38-32(20-19-26-11-5-3-6-12-26)34(40)33(23-27-13-7-4-8-14-27)39(37(38)43)25-29-16-10-18-31(22-29)36(42)45-2/h3-18,21-22,32-34,40H,19-20,23-25H2,1-2H3/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	-52.4	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1693 (Cyclic Cyanoguanidine deriv. 8i | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-2)\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-2)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C32H42N4O2/c33-23-34-32-35(21-26-15-7-8-16-26)28(19-24-11-3-1-4-12-24)30(37)31(38)29(20-25-13-5-2-6-14-25)36(32)22-27-17-9-10-18-27/h1-6,11-14,26-31,37-38H,7-10,15-22H2/t28-,29-,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	-52.4	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1706 (Cyclic Cyanoguanidine deriv. 8v | [4R-(4a,5a,6b,7b...) Show SMILES [#8]-[#6]-c1cccc(-[#6]-[#7]2-[#6@H](-[#6]-c3ccccc3)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c3ccccc3)-[#7](-[#6]-c3cccc(-[#6]-[#8])c3)\[#6]-2=[#7]\C#N)c1 |r| Show InChI InChI=1S/C36H38N4O4/c37-25-38-36-39(21-28-13-7-15-30(17-28)23-41)32(19-26-9-3-1-4-10-26)34(43)35(44)33(20-27-11-5-2-6-12-27)40(36)22-29-14-8-16-31(18-29)24-42/h1-18,32-35,41-44H,19-24H2/t32-,33-,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	-52.1	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1091 ((4R,5R,6R)-1,3-bis[(3-aminophenyl)methyl]-4-benzyl...) Show SMILES Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1 |r| Show InChI InChI=1S/C33H36N4O2/c34-28-15-7-13-26(19-28)22-36-30(18-17-24-9-3-1-4-10-24)32(38)31(21-25-11-5-2-6-12-25)37(33(36)39)23-27-14-8-16-29(35)20-27/h1-16,19-20,30-32,38H,17-18,21-23,34-35H2/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	-52.1	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1692 (Cyclic Cyanoguanidine deriv. 8h | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-2)\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-2)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C30H38N4O2/c31-21-32-30-33(19-24-13-7-14-24)26(17-22-9-3-1-4-10-22)28(35)29(36)27(18-23-11-5-2-6-12-23)34(30)20-25-15-8-16-25/h1-6,9-12,24-29,35-36H,7-8,13-20H2/t26-,27-,28+,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-51.6	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1095 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[4-(hydroxy...) Show SMILES OCc1ccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C35H38N2O4/c38-24-30-15-11-28(12-16-30)22-36-32(20-19-26-7-3-1-4-8-26)34(40)33(21-27-9-5-2-6-10-27)37(35(36)41)23-29-13-17-31(25-39)18-14-29/h1-18,32-34,38-40H,19-25H2/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	-51.1	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1703 (Cyclic Cyanoguanidine deriv. 8s | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccc(-[#8])cc2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccc(-[#8])cc2)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C34H34N4O4/c35-23-36-34-37(21-26-11-15-28(39)16-12-26)30(19-24-7-3-1-4-8-24)32(41)33(42)31(20-25-9-5-2-6-10-25)38(34)22-27-13-17-29(40)18-14-27/h1-18,30-33,39-42H,19-22H2/t30-,31-,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	-51.0	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1688 (Cyclic Cyanoguanidine deriv. 8d | [4R-(4a,5a,6B,7B...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7]1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-[#6]-[#6])\[#6]-1=[#7]\C#N |r| Show InChI InChI=1S/C28H38N4O2/c1-3-5-17-31-24(19-22-13-9-7-10-14-22)26(33)27(34)25(20-23-15-11-8-12-16-23)32(18-6-4-2)28(31)30-21-29/h7-16,24-27,33-34H,3-6,17-20H2,1-2H3/t24-,25-,26+,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	-50.9	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1720 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)N(Cc2cccc(c2)[N+]([O-])=O)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C33H32N4O7/c38-31-29(19-23-9-3-1-4-10-23)34(21-25-13-7-15-27(17-25)36(41)42)33(40)35(22-26-14-8-16-28(18-26)37(43)44)30(32(31)39)20-24-11-5-2-6-12-24/h1-18,29-32,38-39H,19-22H2/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1724 (3-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-[(3-cyanophenyl)m...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C#N)C(=O)N(Cc2cccc(c2)C#N)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C35H32N4O3/c36-21-27-13-7-15-29(17-27)23-38-31(19-25-9-3-1-4-10-25)33(40)34(41)32(20-26-11-5-2-6-12-26)39(35(38)42)24-30-16-8-14-28(18-30)22-37/h1-18,31-34,40-41H,19-20,23-24H2/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1087 ((4R,5R,6R)-4-benzyl-1,3-bis(cyclopropylmethyl)-5-h...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C27H34N2O2/c30-26-24(16-15-20-7-3-1-4-8-20)28(18-22-11-12-22)27(31)29(19-23-13-14-23)25(26)17-21-9-5-2-6-10-21/h1-10,22-26,30H,11-19H2/t24-,25-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80	-50.0	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1690 (Cyclic Cyanoguanidine deriv. 8f | [4R-(4a,5a,6B,7B...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6]-[#7]1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-[#6](-[#6])-[#6])\[#6]-1=[#7]\C#N |r| Show InChI InChI=1S/C30H42N4O2/c1-22(2)15-17-33-26(19-24-11-7-5-8-12-24)28(35)29(36)27(20-25-13-9-6-10-14-25)34(18-16-23(3)4)30(33)32-21-31/h5-14,22-23,26-29,35-36H,15-20H2,1-4H3/t26-,27-,28+,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80	-50.0	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1092 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[3-(methyla...) Show SMILES CNc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(NC)c3)C2=O)c1 |r| Show InChI InChI=1S/C35H40N4O2/c1-36-30-17-9-15-28(21-30)24-38-32(20-19-26-11-5-3-6-12-26)34(40)33(23-27-13-7-4-8-14-27)39(35(38)41)25-29-16-10-18-31(22-29)37-2/h3-18,21-22,32-34,36-37,40H,19-20,23-25H2,1-2H3/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90	-49.3	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1694 (Cyclic Cyanoguanidine deriv. 8j | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C34H46N4O2/c35-25-36-34-37(23-28-17-9-3-10-18-28)30(21-26-13-5-1-6-14-26)32(39)33(40)31(22-27-15-7-2-8-16-27)38(34)24-29-19-11-4-12-20-29/h1-2,5-8,13-16,28-33,39-40H,3-4,9-12,17-24H2/t30-,31-,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70	-48.9	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1698 (Cyclic Cyanoguanidine deriv. 8n | [4R-(4a,5a,6B,7B...) Show SMILES [#7]-c1cccc(-[#6]-[#7]2-[#6@H](-[#6]-c3ccccc3)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c3ccccc3)-[#7](-[#6]-c3cccc(-[#7])c3)\[#6]-2=[#7]/C#N)c1 |r| Show InChI InChI=1S/C34H36N6O2/c35-23-38-34-39(21-26-13-7-15-28(36)17-26)30(19-24-9-3-1-4-10-24)32(41)33(42)31(20-25-11-5-2-6-12-25)40(34)22-27-14-8-16-29(37)18-27/h1-18,30-33,41-42H,19-22,36-37H2/t30-,31-,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	-48.3	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1094 ((4R,5R,6R)-1,3-bis[(4-amino-3-fluorophenyl)methyl]...) Show SMILES Nc1ccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(N)c(F)c3)C2=O)cc1F |r| Show InChI InChI=1S/C33H34F2N4O2/c34-26-17-24(11-14-28(26)36)20-38-30(16-13-22-7-3-1-4-8-22)32(40)31(19-23-9-5-2-6-10-23)39(33(38)41)21-25-12-15-29(37)27(35)18-25/h1-12,14-15,17-18,30-32,40H,13,16,19-21,36-37H2/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1076 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-cyanophenyl)methy...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)C#N)C(=O)N(Cc2cccc(c2)C#N)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C35H32N4O2/c36-22-28-13-7-15-30(19-28)24-38-32(18-17-26-9-3-1-4-10-26)34(40)33(21-27-11-5-2-6-12-27)39(35(38)41)25-31-16-8-14-29(20-31)23-37/h1-16,19-20,32-34,40H,17-18,21,24-25H2/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-47.3	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1707 (Cyclic Cyanoguanidine deriv. 8w | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6]-c1ccc(-[#6]-[#7]2-[#6@H](-[#6]-c3ccccc3)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c3ccccc3)-[#7](-[#6]-c3ccc(-[#6]-[#8])cc3)\[#6]-2=[#7]\C#N)cc1 |r| Show InChI InChI=1S/C36H38N4O4/c37-25-38-36-39(21-28-11-15-30(23-41)16-12-28)32(19-26-7-3-1-4-8-26)34(43)35(44)33(20-27-9-5-2-6-10-27)40(36)22-29-13-17-31(24-42)18-14-29/h1-18,32-35,41-44H,19-24H2/t32-,33-,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	11	-47.3	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1687 (Cyclic Cyanoguanidine deriv. 8c | [4R-(4a,5a,6B,7B...) Show SMILES [#6]-[#6]-[#6]-[#7]1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-[#6])\[#6]-1=[#7]\C#N |r| Show InChI InChI=1S/C26H34N4O2/c1-3-15-29-22(17-20-11-7-5-8-12-20)24(31)25(32)23(18-21-13-9-6-10-14-21)30(16-4-2)26(29)28-19-27/h5-14,22-25,31-32H,3-4,15-18H2,1-2H3/t22-,23-,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-46.6	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1088 ((4R,5R,6R)-1,3,4-tribenzyl-5-hydroxy-6-(2-phenylet...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C33H34N2O2/c36-32-30(22-21-26-13-5-1-6-14-26)34(24-28-17-9-3-10-18-28)33(37)35(25-29-19-11-4-12-20-29)31(32)23-27-15-7-2-8-16-27/h1-20,30-32,36H,21-25H2/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	-46.5	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1695 (Cyclic Cyanoguanidine deriv. 8k | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccccc2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccccc2)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C34H34N4O2/c35-25-36-34-37(23-28-17-9-3-10-18-28)30(21-26-13-5-1-6-14-26)32(39)33(40)31(22-27-15-7-2-8-16-27)38(34)24-29-19-11-4-12-20-29/h1-20,30-33,39-40H,21-24H2/t30-,31-,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-45.7	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1708 (Cyclic Cyanoguanidine deriv. 8x | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccc3ccccc3c2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccc3ccccc3c2)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C42H38N4O2/c43-29-44-42-45(27-32-19-21-34-15-7-9-17-36(34)23-32)38(25-30-11-3-1-4-12-30)40(47)41(48)39(26-31-13-5-2-6-14-31)46(42)28-33-20-22-35-16-8-10-18-37(35)24-33/h1-24,38-41,47-48H,25-28H2/t38-,39-,40+,41+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	-45.5	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1691 (Cyclic Cyanoguanidine deriv. 8g | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C28H34N4O2/c29-19-30-28-31(17-22-11-12-22)24(15-20-7-3-1-4-8-20)26(33)27(34)25(32(28)18-23-13-14-23)16-21-9-5-2-6-10-21/h1-10,22-27,33-34H,11-18H2/t24-,25-,26+,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	22	-45.5	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1699 (Cyclic Cyanoguanidine deriv. 8o | [4R-(4a,5a,6B,7B...) Show SMILES [#7]-c1ccc(-[#6]-[#7]2-[#6@H](-[#6]-c3ccccc3)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c3ccccc3)-[#7](-[#6]-c3ccc(-[#7])cc3)\[#6]-2=[#7]\C#N)cc1 |r| Show InChI InChI=1S/C34H36N6O2/c35-23-38-34-39(21-26-11-15-28(36)16-12-26)30(19-24-7-3-1-4-8-24)32(41)33(42)31(20-25-9-5-2-6-10-25)40(34)22-27-13-17-29(37)18-14-27/h1-18,30-33,41-42H,19-22,36-37H2/t30-,31-,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	-45.1	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1700 (3-{[(4R,5S,6S,7R)-4,7-dibenzyl-2-(cyanoimino)-3-[(...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2cccc(c2)C#N)\[#6](=[#7]/C#N)-[#7](-[#6]-c2cccc(c2)C#N)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C36H32N6O2/c37-21-28-13-7-15-30(17-28)23-41-32(19-26-9-3-1-4-10-26)34(43)35(44)33(20-27-11-5-2-6-12-27)42(36(41)40-25-39)24-31-16-8-14-29(18-31)22-38/h1-18,32-35,43-44H,19-20,23-24H2/t32-,33-,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	-44.9	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1689 (Cyclic Cyanoguanidine deriv. 8e | [4R-(4a,5a,6B,7B...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])\[#6]-1=[#7]\C#N |r| Show InChI InChI=1S/C30H38N4O2/c1-22(2)15-17-33-26(19-24-11-7-5-8-12-24)28(35)29(36)27(20-25-13-9-6-10-14-25)34(18-16-23(3)4)30(33)32-21-31/h5-16,26-29,35-36H,17-20H2,1-4H3/t26-,27-,28+,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-44.7	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1721 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)N(Cc2ccc(cc2)[N+]([O-])=O)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C33H32N4O7/c38-31-29(19-23-7-3-1-4-8-23)34(21-25-11-15-27(16-12-25)36(41)42)33(40)35(22-26-13-17-28(18-14-26)37(43)44)30(32(31)39)20-24-9-5-2-6-10-24/h1-18,29-32,38-39H,19-22H2/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1686 (Cyclic Cyanoguanidine deriv. 8b | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]=[#6])\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]=[#6])-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C26H30N4O2/c1-3-15-29-22(17-20-11-7-5-8-12-20)24(31)25(32)23(18-21-13-9-6-10-14-21)30(16-4-2)26(29)28-19-27/h3-14,22-25,31-32H,1-2,15-18H2/t22-,23-,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	-44.1	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1725 (4-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-[(4-cyanophenyl)m...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(cc2)C#N)C(=O)N(Cc2ccc(cc2)C#N)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C35H32N4O3/c36-21-27-11-15-29(16-12-27)23-38-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)39(35(38)42)24-30-17-13-28(22-37)14-18-30/h1-18,31-34,40-41H,19-20,23-24H2/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1697 (Cyclic Cyanoguanidine deriv. 8m | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C34H32N6O6/c35-23-36-34-37(21-26-11-15-28(16-12-26)39(43)44)30(19-24-7-3-1-4-8-24)32(41)33(42)31(20-25-9-5-2-6-10-25)38(34)22-27-13-17-29(18-14-27)40(45)46/h1-18,30-33,41-42H,19-22H2/t30-,31-,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	67	-42.6	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1696 (Cyclic Cyanoguanidine deriv. 8l | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2cccc(c2)-[#7+](-[#8-])=O)\[#6](=[#7]/C#N)-[#7](-[#6]-c2cccc(c2)-[#7+](-[#8-])=O)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C34H32N6O6/c35-23-36-34-37(21-26-13-7-15-28(17-26)39(43)44)30(19-24-9-3-1-4-10-24)32(41)33(42)31(20-25-11-5-2-6-12-25)38(34)22-27-14-8-16-29(18-27)40(45)46/h1-18,30-33,41-42H,19-22H2/t30-,31-,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	89	-41.9	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1701 (4-{[(4R,5S,6S,7R)-4,7-dibenzyl-2-(cyanoimino)-3-[(...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccc(cc2)C#N)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccc(cc2)C#N)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C36H32N6O2/c37-21-28-11-15-30(16-12-28)23-41-32(19-26-7-3-1-4-8-26)34(43)35(44)33(20-27-9-5-2-6-10-27)42(36(41)40-25-39)24-31-17-13-29(22-38)14-18-31/h1-18,32-35,43-44H,19-20,23-24H2/t32-,33-,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	128	-40.9	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1709 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-diaze...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)N[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C19H22N2O3/c22-17-15(11-13-7-3-1-4-8-13)20-19(24)21-16(18(17)23)12-14-9-5-2-6-10-14/h1-10,15-18,22-23H,11-12H2,(H2,20,21,24)/t15-,16-,17+,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1728 ((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis({[3-(benzyloxy)...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(OCc3ccccc3)c2)C(=O)N(Cc2cccc(OCc3ccccc3)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C47H46N2O5/c50-45-43(29-35-15-5-1-6-16-35)48(31-39-23-13-25-41(27-39)53-33-37-19-9-3-10-20-37)47(52)49(44(46(45)51)30-36-17-7-2-8-18-36)32-40-24-14-26-42(28-40)54-34-38-21-11-4-12-22-38/h1-28,43-46,50-51H,29-34H2/t43-,44-,45+,46+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1729 ((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis({[4-(benzyloxy)...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(OCc3ccccc3)cc2)C(=O)N(Cc2ccc(OCc3ccccc3)cc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C47H46N2O5/c50-45-43(29-35-13-5-1-6-14-35)48(31-37-21-25-41(26-22-37)53-33-39-17-9-3-10-18-39)47(52)49(44(46(45)51)30-36-15-7-2-8-16-36)32-38-23-27-42(28-24-38)54-34-40-19-11-4-12-20-40/h1-28,43-46,50-51H,29-34H2/t43-,44-,45+,46+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	542	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1077 ((4S,5S,6S)-4-benzyl-5-hydroxy-1,3-bis({[3-(hydroxy...) Show SMILES OCc1cccc(CN2[C@@H](CCc3ccccc3)[C@H](O)[C@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1 |r| Show InChI InChI=1S/C35H38N2O4/c38-24-30-15-7-13-28(19-30)22-36-32(18-17-26-9-3-1-4-10-26)34(40)33(21-27-11-5-2-6-12-27)37(35(36)41)23-29-14-8-16-31(20-29)25-39/h1-16,19-20,32-34,38-40H,17-18,21-25H2/t32-,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	550	-37.2	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1085 ((4S,5S,6S)-Tetrahydro-1,3-bis[(3-benzamide oxime)m...) Show SMILES ONC(=N)c1cccc(CN2[C@@H](CCc3ccccc3)[C@H](O)[C@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 |r| Show InChI InChI=1S/C35H38N6O4/c36-33(38-44)28-15-7-13-26(19-28)22-40-30(18-17-24-9-3-1-4-10-24)32(42)31(21-25-11-5-2-6-12-25)41(35(40)43)23-27-14-8-16-29(20-27)34(37)39-45/h1-16,19-20,30-32,42,44-45H,17-18,21-23H2,(H2,36,38)(H2,37,39)/t30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	780	-36.3	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1705 (Cyclic Cyanoguanidine deriv. 8u | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C48H46N4O4/c49-35-50-48-51(31-38-21-25-42(26-22-38)55-33-40-17-9-3-10-18-40)44(29-36-13-5-1-6-14-36)46(53)47(54)45(30-37-15-7-2-8-16-37)52(48)32-39-23-27-43(28-24-39)56-34-41-19-11-4-12-20-41/h1-28,44-47,53-54H,29-34H2/t44-,45-,46+,47+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	900	-35.9	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1086 ((4R,5R,6R)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C19H22N2O2/c22-18-16(12-11-14-7-3-1-4-8-14)20-19(23)21-17(18)13-15-9-5-2-6-10-15/h1-10,16-18,22H,11-13H2,(H2,20,21,23)/t16-,17-,18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	970	-35.7	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: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
					More data for this Ligand-Target Pair

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