Compile Data Set for Download or QSAR

Found 62 hits of ki for UniProtKB: P03369   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12877 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O |r| Show InChI InChI=1S/C33H39N3O8S/c1-22(2)19-35(45(41,42)28-15-13-27(43-4)14-16-28)20-30(38)29(17-24-9-6-5-7-10-24)34-32(39)31-21-36(33(40)44-31)26-12-8-11-25(18-26)23(3)37/h5-16,18,22,29-31,38H,17,19-21H2,1-4H3,(H,34,39)/t29-,30+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.000800	-16.8	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12878 ((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C33H39N3O8S/c1-22(2)19-35(45(41,42)28-16-14-27(43-4)15-17-28)20-30(38)29(18-24-8-6-5-7-9-24)34-32(39)31-21-36(33(40)44-31)26-12-10-25(11-13-26)23(3)37/h5-17,22,29-31,38H,18-21H2,1-4H3,(H,34,39)/t29-,30+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.00400	-15.8	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM578 ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12883 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H37N3O9S/c1-21(2)17-35(46(41,42)26-12-13-29-30(16-26)44-20-43-29)18-28(38)27(14-23-8-5-4-6-9-23)34-32(39)31-19-36(33(40)45-31)25-11-7-10-24(15-25)22(3)37/h4-13,15-16,21,27-28,31,38H,14,17-20H2,1-3H3,(H,34,39)/t27-,28+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12885 ((5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C32H36F3N3O7S/c1-21(2)18-37(46(42,43)26-14-12-25(44-3)13-15-26)19-28(39)27(16-22-8-5-4-6-9-22)36-30(40)29-20-38(31(41)45-29)24-11-7-10-23(17-24)32(33,34)35/h4-15,17,21,27-29,39H,16,18-20H2,1-3H3,(H,36,40)/t27-,28+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12894 ((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H37N3O9S/c1-21(2)17-35(46(41,42)26-13-14-29-30(16-26)44-20-43-29)18-28(38)27(15-23-7-5-4-6-8-23)34-32(39)31-19-36(33(40)45-31)25-11-9-24(10-12-25)22(3)37/h4-14,16,21,27-28,31,38H,15,17-20H2,1-3H3,(H,34,39)/t27-,28+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12893 ((5S)-N-[(1S,2R)-3-[[(Benzo[1,3]dioxole-5-sulfonyl)...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C32H34F3N3O8S/c1-20(2)16-37(47(42,43)24-11-12-27-28(15-24)45-19-44-27)17-26(39)25(13-21-7-4-3-5-8-21)36-30(40)29-18-38(31(41)46-29)23-10-6-9-22(14-23)32(33,34)35/h3-12,14-15,20,25-26,29,39H,13,16-19H2,1-2H3,(H,36,40)/t25-,26+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12889 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(4-aminophe...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C32H38N4O7S/c1-21(2)18-35(44(41,42)27-14-12-25(33)13-15-27)19-29(38)28(16-23-8-5-4-6-9-23)34-31(39)30-20-36(32(40)43-30)26-11-7-10-24(17-26)22(3)37/h4-15,17,21,28-30,38H,16,18-20,33H2,1-3H3,(H,34,39)/t28-,29+,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12882 ((5S)-N-[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](isobu...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C31H35F3N4O6S/c1-20(2)17-37(45(42,43)25-13-11-23(35)12-14-25)18-27(39)26(15-21-7-4-3-5-8-21)36-29(40)28-19-38(30(41)44-28)24-10-6-9-22(16-24)31(32,33)34/h3-14,16,20,26-28,39H,15,17-19,35H2,1-2H3,(H,36,40)/t26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12886 ((5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(OC)c1 |r| Show InChI InChI=1S/C32H39N3O8S/c1-22(2)19-34(44(39,40)27-15-13-25(41-3)14-16-27)20-29(36)28(17-23-9-6-5-7-10-23)33-31(37)30-21-35(32(38)43-30)24-11-8-12-26(18-24)42-4/h5-16,18,22,28-30,36H,17,19-21H2,1-4H3,(H,33,37)/t28-,29+,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12876 ((5S)-3-(3,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C31H35F2N3O7S/c1-20(2)17-35(44(40,41)24-12-10-23(42-3)11-13-24)18-28(37)27(15-21-7-5-4-6-8-21)34-30(38)29-19-36(31(39)43-29)22-9-14-25(32)26(33)16-22/h4-14,16,20,27-29,37H,15,17-19H2,1-3H3,(H,34,38)/t27-,28+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0660	-14.1	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12895 ((5S)-N-[(1S,2R)-1-Benzyl-3-[[(3-fluoro-4-methoxyph...) Show SMILES COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1 |r| Show InChI InChI=1S/C31H35F2N3O7S/c1-20(2)17-35(44(40,41)24-12-13-28(42-3)25(33)16-24)18-27(37)26(14-21-8-5-4-6-9-21)34-30(38)29-19-36(31(39)43-29)23-11-7-10-22(32)15-23/h4-13,15-16,20,26-27,29,37H,14,17-19H2,1-3H3,(H,34,38)/t26-,27+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12897 ((5S)-N-[(1S,2R)-1-Benzyl-3-[[(3-fluoro-4-methoxyph...) Show SMILES COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C32H35F4N3O7S/c1-20(2)17-38(47(43,44)24-12-13-28(45-3)25(33)16-24)18-27(40)26(14-21-8-5-4-6-9-21)37-30(41)29-19-39(31(42)46-29)23-11-7-10-22(15-23)32(34,35)36/h4-13,15-16,20,26-27,29,40H,14,17-19H2,1-3H3,(H,37,41)/t26-,27+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12899 ((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-Benzyl-3-[[(3...) Show SMILES COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C33H38FN3O8S/c1-21(2)18-36(46(42,43)26-14-15-30(44-4)27(34)17-26)19-29(39)28(16-23-8-6-5-7-9-23)35-32(40)31-20-37(33(41)45-31)25-12-10-24(11-13-25)22(3)38/h5-15,17,21,28-29,31,39H,16,18-20H2,1-4H3,(H,35,40)/t28-,29+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12875 ((5S)-3-(3-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[(4...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1 |r| Show InChI InChI=1S/C31H36FN3O7S/c1-21(2)18-34(43(39,40)26-14-12-25(41-3)13-15-26)19-28(36)27(16-22-8-5-4-6-9-22)33-30(37)29-20-35(31(38)42-29)24-11-7-10-23(32)17-24/h4-15,17,21,27-29,36H,16,18-20H2,1-3H3,(H,33,37)/t27-,28+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0830	-14.0	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12892 ((5S)-N-[(1S,2R)-3-[[(Benzo[1,3]dioxole-5-sulfonyl)...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H33F2N3O8S/c1-19(2)15-35(45(40,41)22-9-11-27-28(14-22)43-18-42-27)16-26(37)25(12-20-6-4-3-5-7-20)34-30(38)29-17-36(31(39)44-29)21-8-10-23(32)24(33)13-21/h3-11,13-14,19,25-26,29,37H,12,15-18H2,1-2H3,(H,34,38)/t25-,26+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12884 ((5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r| Show InChI InChI=1S/C31H37N3O7S/c1-22(2)19-33(42(38,39)26-16-14-25(40-3)15-17-26)20-28(35)27(18-23-10-6-4-7-11-23)32-30(36)29-21-34(31(37)41-29)24-12-8-5-9-13-24/h4-17,22,27-29,35H,18-21H2,1-3H3,(H,32,36)/t27-,28+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12891 ((5S)-N-[(1S,2R)-3-[[(Benzo[1,3]dioxole-5-sulfonyl)...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H34FN3O8S/c1-20(2)16-34(44(39,40)24-11-12-27-28(15-24)42-19-41-27)17-26(36)25(13-21-7-4-3-5-8-21)33-30(37)29-18-35(31(38)43-29)23-10-6-9-22(32)14-23/h3-12,14-15,20,25-26,29,36H,13,16-19H2,1-2H3,(H,33,37)/t25-,26+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12898 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-1-benzyl-3-[[(3...) Show SMILES COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O |r| Show InChI InChI=1S/C33H38FN3O8S/c1-21(2)18-36(46(42,43)26-13-14-30(44-4)27(34)17-26)19-29(39)28(15-23-9-6-5-7-10-23)35-32(40)31-20-37(33(41)45-31)25-12-8-11-24(16-25)22(3)38/h5-14,16-17,21,28-29,31,39H,15,18-20H2,1-4H3,(H,35,40)/t28-,29+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12887 ((5S)-N-[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](isobu...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C30H35FN4O6S/c1-20(2)17-34(42(39,40)25-13-11-23(32)12-14-25)18-27(36)26(15-21-7-4-3-5-8-21)33-29(37)28-19-35(30(38)41-28)24-10-6-9-22(31)16-24/h3-14,16,20,26-28,36H,15,17-19,32H2,1-2H3,(H,33,37)/t26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12890 ((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-3-[[(4-aminophe...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C32H38N4O7S/c1-21(2)18-35(44(41,42)27-15-11-25(33)12-16-27)19-29(38)28(17-23-7-5-4-6-8-23)34-31(39)30-20-36(32(40)43-30)26-13-9-24(10-14-26)22(3)37/h4-16,21,28-30,38H,17-20,33H2,1-3H3,(H,34,39)/t28-,29+,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12888 ((5S)-N-[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](isobu...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C30H34F2N4O6S/c1-19(2)16-35(43(40,41)23-11-8-21(33)9-12-23)17-27(37)26(14-20-6-4-3-5-7-20)34-29(38)28-18-36(30(39)42-28)22-10-13-24(31)25(32)15-22/h3-13,15,19,26-28,37H,14,16-18,33H2,1-2H3,(H,34,38)/t26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12904 ((5S)-N-[(1S,2R)-1-Benzyl-3-[(cyclopropylmethyl)[(4...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1)CC1CC1 |r| Show InChI InChI=1S/C31H34FN3O7S/c1-41-25-12-14-26(15-13-25)43(39,40)34(18-22-10-11-22)19-28(36)27(16-21-6-3-2-4-7-21)33-30(37)29-20-35(31(38)42-29)24-9-5-8-23(32)17-24/h2-9,12-15,17,22,27-29,36H,10-11,16,18-20H2,1H3,(H,33,37)/t27-,28+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12896 ((5S)-3-(3,4-difluorophenyl)-N-[(2S,3R)-4-[(3-fluor...) Show SMILES COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C31H34F3N3O7S/c1-19(2)16-36(45(41,42)22-10-12-28(43-3)25(34)15-22)17-27(38)26(13-20-7-5-4-6-8-20)35-30(39)29-18-37(31(40)44-29)21-9-11-23(32)24(33)14-21/h4-12,14-15,19,26-27,29,38H,13,16-18H2,1-3H3,(H,35,39)/t26-,27+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12881 ((5S)-N-[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](isobu...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C30H36N4O6S/c1-21(2)18-33(41(38,39)25-15-13-23(31)14-16-25)19-27(35)26(17-22-9-5-3-6-10-22)32-29(36)28-20-34(30(37)40-28)24-11-7-4-8-12-24/h3-16,21,26-28,35H,17-20,31H2,1-2H3,(H,32,36)/t26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12905 ((5S)-N-[(1S,2R)-1-Benzyl-3-[(cyclopropylmethyl)[(4...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)CC1CC1 |r| Show InChI InChI=1S/C31H33F2N3O7S/c1-42-23-10-12-24(13-11-23)44(40,41)35(17-21-7-8-21)18-28(37)27(15-20-5-3-2-4-6-20)34-30(38)29-19-36(31(39)43-29)22-9-14-25(32)26(33)16-22/h2-6,9-14,16,21,27-29,37H,7-8,15,17-19H2,1H3,(H,34,38)/t27-,28+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12906 ((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-Benzyl-3-[(cy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O)CC1CC1 |r| Show InChI InChI=1S/C33H37N3O8S/c1-22(37)25-10-12-26(13-11-25)36-21-31(44-33(36)40)32(39)34-29(18-23-6-4-3-5-7-23)30(38)20-35(19-24-8-9-24)45(41,42)28-16-14-27(43-2)15-17-28/h3-7,10-17,24,29-31,38H,8-9,18-21H2,1-2H3,(H,34,39)/t29-,30+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12903 ((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...) Show SMILES COc1cccc(c1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C33H39N3O8S/c1-22(2)19-35(45(41,42)28-12-8-11-27(18-28)43-4)20-30(38)29(17-24-9-6-5-7-10-24)34-32(39)31-21-36(33(40)44-31)26-15-13-25(14-16-26)23(3)37/h5-16,18,22,29-31,38H,17,19-21H2,1-4H3,(H,34,39)/t29-,30+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17828 ((2S)-2-acetamido-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-...) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C35H42N4O6/c1-23(2)32(36-24(3)40)34(43)37-27(19-25-13-7-4-8-14-25)21-30(41)29(20-26-15-9-5-10-16-26)38-33(42)31-22-39(35(44)45-31)28-17-11-6-12-18-28/h4-18,23,27,29-32,41H,19-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t27-,29-,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.850	-12.6	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17831 ((2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acety...) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C37H44N4O7/c1-23(2)34(38-25(4)43)36(46)39-29(18-26-12-7-5-8-13-26)21-32(44)31(19-27-14-9-6-10-15-27)40-35(45)33-22-41(37(47)48-33)30-17-11-16-28(20-30)24(3)42/h5-17,20,23,29,31-34,44H,18-19,21-22H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t29-,31-,32-,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.980	-12.5	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12901 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C33H36F3N3O8S/c1-21(2)18-38(48(44,45)27-14-12-26(13-15-27)47-33(34,35)36)19-29(41)28(16-23-8-5-4-6-9-23)37-31(42)30-20-39(32(43)46-30)25-11-7-10-24(17-25)22(3)40/h4-15,17,21,28-30,41H,16,18-20H2,1-3H3,(H,37,42)/t28-,29+,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17832 ((2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phen...) Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H45N5O6/c1-25(2)33(41-20-12-19-38-36(41)46)35(45)39-28(21-26-13-6-3-7-14-26)23-31(43)30(22-27-15-8-4-9-16-27)40-34(44)32-24-42(37(47)48-32)29-17-10-5-11-18-29/h3-11,13-18,25,28,30-33,43H,12,19-24H2,1-2H3,(H,38,46)(H,39,45)(H,40,44)/t28-,30-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.04	-12.0	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17829 ((2S)-N-[(2S,4S,5S)-5-{[(5S)-3-(3,4-difluorophenyl)...) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)Cc1ccccc1 |r| Show InChI InChI=1S/C35H40F2N4O6/c1-21(2)32(38-22(3)42)34(45)39-25(16-23-10-6-4-7-11-23)18-30(43)29(17-24-12-8-5-9-13-24)40-33(44)31-20-41(35(46)47-31)26-14-15-27(36)28(37)19-26/h4-15,19,21,25,29-32,43H,16-18,20H2,1-3H3,(H,38,42)(H,39,45)(H,40,44)/t25-,29-,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.13	-12.0	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17830 ((2S)-2-acetamido-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-...) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)Cc1ccccc1 |r| Show InChI InChI=1S/C36H41F3N4O6/c1-22(2)32(40-23(3)44)34(47)41-27(17-24-11-6-4-7-12-24)20-30(45)29(18-25-13-8-5-9-14-25)42-33(46)31-21-43(35(48)49-31)28-16-10-15-26(19-28)36(37,38)39/h4-16,19,22,27,29-32,45H,17-18,20-21H2,1-3H3,(H,40,44)(H,41,47)(H,42,46)/t27-,29-,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.62	-11.9	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17833 (Hydroxyethylene Isostere-Based Compound, 15a | met...) Show SMILES COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C36H44N4O7/c1-36(2,3)31(39-34(44)46-4)33(43)37-26(20-24-14-8-5-9-15-24)22-29(41)28(21-25-16-10-6-11-17-25)38-32(42)30-23-40(35(45)47-30)27-18-12-7-13-19-27/h5-19,26,28-31,41H,20-23H2,1-4H3,(H,37,43)(H,38,42)(H,39,44)/t26-,28-,29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.51	-11.7	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12902 ((5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(3-...) Show SMILES COc1cccc(c1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r| Show InChI InChI=1S/C31H37N3O7S/c1-22(2)19-33(42(38,39)26-16-10-15-25(18-26)40-3)20-28(35)27(17-23-11-6-4-7-12-23)32-30(36)29-21-34(31(37)41-29)24-13-8-5-9-14-24/h4-16,18,22,27-29,35H,17,19-21H2,1-3H3,(H,32,36)/t27-,28+,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17843 ((Hydroxyethyl)hydrazine Isostere-Based Compound, 3...) Show SMILES COC(=O)N[C@H](C(=O)NN(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C32H45N5O7/c1-21(2)18-36(35-29(40)27(32(3,4)5)34-30(41)43-6)19-25(38)24(17-22-13-9-7-10-14-22)33-28(39)26-20-37(31(42)44-26)23-15-11-8-12-16-23/h7-16,21,24-27,38H,17-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,40)/t24-,25-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-11.3	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17838 (2-(2,6-dimethylphenoxy)-N-[(2S,3S,5S)-3-hydroxy-5-...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r| Show InChI InChI=1S/C38H41N3O6/c1-26-13-12-14-27(2)36(26)46-25-35(43)40-32(22-29-17-8-4-9-18-29)33(42)23-30(21-28-15-6-3-7-16-28)39-37(44)34-24-41(38(45)47-34)31-19-10-5-11-20-31/h3-20,30,32-34,42H,21-25H2,1-2H3,(H,39,44)(H,40,43)/t30-,32-,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.28	-11.3	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17834 (2-(2,6-dimethylphenoxy)-N-[(2S,4S,5S)-4-hydroxy-5-...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C38H41N3O6/c1-26-13-12-14-27(2)36(26)46-25-35(43)39-30(21-28-15-6-3-7-16-28)23-33(42)32(22-29-17-8-4-9-18-29)40-37(44)34-24-41(38(45)47-34)31-19-10-5-11-20-31/h3-20,30,32-34,42H,21-25H2,1-2H3,(H,39,43)(H,40,44)/t30-,32-,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.05	-11.2	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12900 ((5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[[(4...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C32H33F6N3O7S/c1-20(2)17-40(49(45,46)25-13-11-24(12-14-25)48-32(36,37)38)18-27(42)26(15-21-7-4-3-5-8-21)39-29(43)28-19-41(30(44)47-28)23-10-6-9-22(16-23)31(33,34)35/h3-14,16,20,26-28,42H,15,17-19H2,1-2H3,(H,39,43)/t26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17844 ((Hydroxyethyl)hydrazine Isostere-Based Compound, 3...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC(C)C)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C32H45N5O7/c1-21(2)18-36(35-28(39)26-20-37(31(42)44-26)23-15-11-8-12-16-23)19-25(38)24(17-22-13-9-7-10-14-22)33-29(40)27(32(3,4)5)34-30(41)43-6/h7-16,21,24-27,38H,17-20H2,1-6H3,(H,33,40)(H,34,41)(H,35,39)/t24-,25-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10.6	-11.1	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12879 ((5R)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)O1)c1ccccc1 |r| Show InChI InChI=1S/C31H37N3O7S/c1-22(2)19-33(42(38,39)26-16-14-25(40-3)15-17-26)20-28(35)27(18-23-10-6-4-7-11-23)32-30(36)29-21-34(31(37)41-29)24-12-8-5-9-13-24/h4-17,22,27-29,35H,18-21H2,1-3H3,(H,32,36)/t27-,28+,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10.7	-11.0	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17839 (2-(2,6-dimethylphenoxy)-N-[(2S,3S,5S)-3-hydroxy-5-...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C39H40F3N3O6/c1-25-11-9-12-26(2)36(25)50-24-35(47)44-32(20-28-15-7-4-8-16-28)33(46)22-30(19-27-13-5-3-6-14-27)43-37(48)34-23-45(38(49)51-34)31-18-10-17-29(21-31)39(40,41)42/h3-18,21,30,32-34,46H,19-20,22-24H2,1-2H3,(H,43,48)(H,44,47)/t30-,32-,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21.6	-10.6	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12909 ((5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[(3...) Show SMILES COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O)Cc1cccs1 |r| Show InChI InChI=1S/C34H35N3O8S2/c1-23(38)25-13-15-26(16-14-25)37-22-32(45-34(37)41)33(40)35-30(18-24-8-4-3-5-9-24)31(39)21-36(20-28-11-7-17-46-28)47(42,43)29-12-6-10-27(19-29)44-2/h3-17,19,30-32,39H,18,20-22H2,1-2H3,(H,35,40)/t30-,31+,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	29.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17835 (2-(2,6-dimethylphenoxy)-N-[(2S,4S,5S)-5-{[(5S)-3-(...) Show SMILES CC(=O)c1cccc(c1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C |r| Show InChI InChI=1S/C40H43N3O7/c1-26-12-10-13-27(2)38(26)49-25-37(46)41-32(20-29-14-6-4-7-15-29)23-35(45)34(21-30-16-8-5-9-17-30)42-39(47)36-24-43(40(48)50-36)33-19-11-18-31(22-33)28(3)44/h4-19,22,32,34-36,45H,20-21,23-25H2,1-3H3,(H,41,46)(H,42,47)/t32-,34-,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35.1	-10.3	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12880 ((5R)-N-[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](isobu...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)O1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C30H36N4O6S/c1-21(2)18-33(41(38,39)25-15-13-23(31)14-16-25)19-27(35)26(17-22-9-5-3-6-10-22)32-29(36)28-20-34(30(37)40-28)24-11-7-4-8-12-24/h3-16,21,26-28,35H,17-20,31H2,1-2H3,(H,32,36)/t26-,27+,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37.4	-10.3	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17836 (2-(2,6-dimethylphenoxy)-N-[(2S,4S,5S)-5-{[(5S)-3-(...) Show SMILES CC(=O)c1ccc(cc1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C |r| Show InChI InChI=1S/C40H43N3O7/c1-26-11-10-12-27(2)38(26)49-25-37(46)41-32(21-29-13-6-4-7-14-29)23-35(45)34(22-30-15-8-5-9-16-30)42-39(47)36-24-43(40(48)50-36)33-19-17-31(18-20-33)28(3)44/h4-20,32,34-36,45H,21-25H2,1-3H3,(H,41,46)(H,42,47)/t32-,34-,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39.9	-10.3	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17842 (Hydroxyethylene Isostere-Based Compound, 25d | pyr...) Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 |r| Show InChI InChI=1S/C36H35F3N4O6/c37-36(38,39)27-14-7-15-29(19-27)43-22-32(49-35(43)47)33(45)41-28(17-24-9-3-1-4-10-24)20-31(44)30(18-25-11-5-2-6-12-25)42-34(46)48-23-26-13-8-16-40-21-26/h1-16,19,21,28,30-32,44H,17-18,20,22-23H2,(H,41,45)(H,42,46)/t28-,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41.1	-10.2	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM12913 ((5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[[(3-methoxyp...) Show SMILES COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C[C@H]1CCCO1 |r| Show InChI InChI=1S/C32H37N3O8S/c1-41-25-14-8-16-27(19-25)44(39,40)34(20-26-15-9-17-42-26)21-29(36)28(18-23-10-4-2-5-11-23)33-31(37)30-22-35(32(38)43-30)24-12-6-3-7-13-24/h2-8,10-14,16,19,26,28-30,36H,9,15,17-18,20-22H2,1H3,(H,33,37)/t26-,28+,29-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6
					More data for this Ligand-Target Pair

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