Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'calabrese' and Initial = 'jc'   

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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	BDBM1704 (Cyclic Cyanoguanidine deriv. 8t | [4R-(4a,5a,6B,7B...) Show SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2cccc(-[#8]-[#6]-c3ccccc3)c2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2cccc(-[#8]-[#6]-c3ccccc3)c2)-[#6@@H]-1-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C48H46N4O4/c49-35-50-48-51(31-40-23-13-25-42(27-40)55-33-38-19-9-3-10-20-38)44(29-36-15-5-1-6-16-36)46(53)47(54)45(30-37-17-7-2-8-18-37)52(48)32-41-24-14-26-43(28-41)56-34-39-21-11-4-12-22-39/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	1.37E+3	-34.8	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)	BDBM1685 (Cyclic Cyanoguanidine deriv. 8a | [(4R,5S,6S,7R)-4...) Show SMILES NC(=O)NC1=N[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1 |r,t:4| Show InChI InChI=1S/C20H24N4O3/c21-19(27)24-20-22-15(11-13-7-3-1-4-8-13)17(25)18(26)16(23-20)12-14-9-5-2-6-10-14/h1-10,15-18,25-26H,11-12H2,(H4,21,22,23,24,27)/t15-,16-,17+,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.25E+4	>-29.1	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
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50226528 (CHEMBL284425) Show SMILES CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2ccccc2S(O)(=O)=O)cc1 Show InChI InChI=1S/C23H26ClN3O5S/c1-3-4-9-21-26-22(24)19(15-32-2)27(21)14-16-10-12-17(13-11-16)25-23(28)18-7-5-6-8-20(18)33(29,30)31/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,25,28)(H,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50226522 (CHEMBL1744348) Show SMILES C1CCC(CC1)NC1CCCCC1.CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(O)=O)cc1 Show InChI InChI=1S/C25H24Cl3N3O5/c1-3-4-5-19-30-23(28)18(12-20(32)36-2)31(19)13-14-6-8-15(9-7-14)29-24(33)21-16(26)10-11-17(27)22(21)25(34)35/h6-11H,3-5,12-13H2,1-2H3,(H,29,33)(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50226421 (CHEMBL281589) Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(C)cccc2C(O)=O)cc1 Show InChI InChI=1S/C26H28ClN3O5/c1-4-5-9-21-29-24(27)20(14-22(31)35-3)30(21)15-17-10-12-18(13-11-17)28-25(32)23-16(2)7-6-8-19(23)26(33)34/h6-8,10-13H,4-5,9,14-15H2,1-3H3,(H,28,32)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50226467 (CHEMBL276956) Show SMILES CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(O)=O)cc1 Show InChI InChI=1S/C24H24Cl3N3O4/c1-3-4-5-19-29-22(27)18(13-34-2)30(19)12-14-6-8-15(9-7-14)28-23(31)20-16(25)10-11-17(26)21(20)24(32)33/h6-11H,3-5,12-13H2,1-2H3,(H,28,31)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50087583 (CHEMBL25031) Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(OC)cccc2C(O)=O)cc1 Show InChI InChI=1S/C27H28N2O6/c30-24-16-15-23(29(24)18-21-8-4-1-5-9-21)26(33)28-22(27(34)35)17-20-13-11-19(12-14-20)7-3-2-6-10-25(31)32/h1,4-5,8-9,11-14,22-23H,2,6,10,15-18H2,(H,28,33)(H,31,32)(H,34,35)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50015270 (CHEMBL262958 | N-[4-(2-Butyl-4-chloro-5-methoxycar...) Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C25H26ClN3O5/c1-3-4-9-21-28-23(26)20(14-22(30)34-2)29(21)15-16-10-12-17(13-11-16)27-24(31)18-7-5-6-8-19(18)25(32)33/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,31)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50226428 (CHEMBL28011) Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(C)c2NS(=O)(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C26H28ClF3N4O5S/c1-4-5-9-21-32-24(27)20(14-22(35)39-3)34(21)15-17-10-12-18(13-11-17)31-25(36)19-8-6-7-16(2)23(19)33-40(37,38)26(28,29)30/h6-8,10-13,33H,4-5,9,14-15H2,1-3H3,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50226532 (CHEMBL282491) Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C31H30ClN3O5/c1-3-4-13-27-34-29(32)26(18-28(36)40-2)35(27)19-20-14-16-21(17-15-20)33-30(37)24-11-7-5-9-22(24)23-10-6-8-12-25(23)31(38)39/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,33,37)(H,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50226525 (CHEMBL26652) Show SMILES CCCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-2-3-4-9-21-24-14-15-26(21)16-17-10-12-18(13-11-17)25-22(27)19-7-5-6-8-20(19)23(28)29/h5-8,10-15H,2-4,9,16H2,1H3,(H,25,27)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin ll receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50023646 (CHEMBL24364) Show SMILES CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C15H16N3O10P/c19-11-5-13(28-12(11)7-27-29(24,25)26)17-6-10(14(20)16-15(17)21)8-1-3-9(4-2-8)18(22)23/h1-4,6,11-13,19H,5,7H2,(H,16,20,21)(H2,24,25,26)/p-2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50087614 (CHEMBL27981) Show SMILES CCCCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C22H22N2O6/c25-20-9-7-17(24(20)12-14-4-2-1-3-5-14)21(26)23-16(22(27)28)10-15-6-8-18-19(11-15)30-13-29-18/h1-6,8,11,16-17H,7,9-10,12-13H2,(H,23,26)(H,27,28)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin ll receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50226523 (CHEMBL283071) Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(C)ccc2C(O)=O)cc1 Show InChI InChI=1S/C26H28ClN3O5/c1-4-5-6-22-29-24(27)21(14-23(31)35-3)30(22)15-17-8-10-18(11-9-17)28-25(32)20-13-16(2)7-12-19(20)26(33)34/h7-13H,4-6,14-15H2,1-3H3,(H,28,32)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50108642 (CHEMBL27725) Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(c2C(O)=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H25ClN4O7/c1-3-4-8-20-28-23(26)19(13-21(31)37-2)29(20)14-15-9-11-16(12-10-15)27-24(32)17-6-5-7-18(30(35)36)22(17)25(33)34/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,27,32)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50222263 (CHEMBL27839) Show SMILES CCCCc1nc(CC(=O)OC)c(Cl)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C25H26ClN3O5/c1-3-4-9-21-28-20(14-22(30)34-2)23(26)29(21)15-16-10-12-17(13-11-16)27-24(31)18-7-5-6-8-19(18)25(32)33/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,31)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50226425 (CHEMBL28391) Show SMILES CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)Nc1cccc(C)c1C(O)=O Show InChI InChI=1S/C25H28ClN3O4/c1-4-5-9-21-28-23(26)20(15-33-3)29(21)14-17-10-12-18(13-11-17)24(30)27-19-8-6-7-16(2)22(19)25(31)32/h6-8,10-13H,4-5,9,14-15H2,1-3H3,(H,27,30)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
E. I. du Pont de Nemours& Company, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor				J Med Chem 33: 1312-29 (1990) BindingDB Entry DOI: 10.7270/Q2TM7DCT
					More data for this Ligand-Target Pair

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