Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'colacino' and Initial = 'jm'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM821 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C37H45F3N4O6S2/c1-36(2,3)43-34(47)30-19-32-26(15-16-51-32)20-44(30)21-31(45)28(17-23-9-5-4-6-10-23)41-33(46)29(42-35(48)37(38,39)40)22-52(49,50)27-14-13-24-11-7-8-12-25(24)18-27/h4-14,18,26,28-32,45H,15-17,19-22H2,1-3H3,(H,41,46)(H,42,48)(H,43,47)/t26-,28+,29-,30+,31-,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories									Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM823 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C36H48N4O7S3/c1-36(2,3)38-35(43)31-20-33-27(16-17-48-33)21-40(31)22-32(41)29(18-24-10-6-5-7-11-24)37-34(42)30(39-49(4,44)45)23-50(46,47)28-15-14-25-12-8-9-13-26(25)19-28/h5-15,19,27,29-33,39,41H,16-18,20-23H2,1-4H3,(H,37,42)(H,38,43)/t27-,29+,30-,31+,32-,33+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	<0.200	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM823 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C36H48N4O7S3/c1-36(2,3)38-35(43)31-20-33-27(16-17-48-33)21-40(31)22-32(41)29(18-24-10-6-5-7-11-24)37-34(42)30(39-49(4,44)45)23-50(46,47)28-15-14-25-12-8-9-13-26(25)19-28/h5-15,19,27,29-33,39,41H,16-18,20-23H2,1-4H3,(H,37,42)(H,38,43)/t27-,29+,30-,31+,32-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories									Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM817 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[(2S)-3-[(4...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C33H42F4N4O6S2/c1-32(2,3)40-30(44)26-16-28-21(13-14-48-28)17-41(26)18-27(42)24(15-20-7-5-4-6-8-20)38-29(43)25(39-31(45)33(35,36)37)19-49(46,47)23-11-9-22(34)10-12-23/h4-12,21,24-28,42H,13-19H2,1-3H3,(H,38,43)(H,39,45)(H,40,44)/t21-,24+,25-,26+,27-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	<0.200	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM817 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[(2S)-3-[(4...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C33H42F4N4O6S2/c1-32(2,3)40-30(44)26-16-28-21(13-14-48-28)17-41(26)18-27(42)24(15-20-7-5-4-6-8-20)38-29(43)25(39-31(45)33(35,36)37)19-49(46,47)23-11-9-22(34)10-12-23/h4-12,21,24-28,42H,13-19H2,1-3H3,(H,38,43)(H,39,45)(H,40,44)/t21-,24+,25-,26+,27-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories									Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM821 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C37H45F3N4O6S2/c1-36(2,3)43-34(47)30-19-32-26(15-16-51-32)20-44(30)21-31(45)28(17-23-9-5-4-6-10-23)41-33(46)29(42-35(48)37(38,39)40)22-52(49,50)27-14-13-24-11-7-8-12-25(24)18-27/h4-14,18,26,28-32,45H,15-17,19-22H2,1-3H3,(H,41,46)(H,42,48)(H,43,47)/t26-,28+,29-,30+,31-,32+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	<0.200	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM825 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-4-p...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C36H44F3N5O6S2/c1-35(2,3)43-33(47)27-18-29-24(14-16-51-29)19-44(27)20-28(45)25(17-22-9-5-4-6-10-22)41-32(46)26(42-34(48)36(37,38)39)21-52(49,50)30-13-7-11-23-12-8-15-40-31(23)30/h4-13,15,24-29,45H,14,16-21H2,1-3H3,(H,41,46)(H,42,48)(H,43,47)/t24-,25+,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.210	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM825 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-4-p...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C36H44F3N5O6S2/c1-35(2,3)43-33(47)27-18-29-24(14-16-51-29)19-44(27)20-28(45)25(17-22-9-5-4-6-10-22)41-32(46)26(42-34(48)36(37,38)39)21-52(49,50)30-13-7-11-23-12-8-15-40-31(23)30/h4-13,15,24-29,45H,14,16-21H2,1-3H3,(H,41,46)(H,42,48)(H,43,47)/t24-,25+,26-,27+,28-,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM819 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[(2S)-3-[(4...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H45FN4O7S3/c1-32(2,3)35-31(40)27-17-29-22(14-15-45-29)18-37(27)19-28(38)25(16-21-8-6-5-7-9-21)34-30(39)26(36-46(4,41)42)20-47(43,44)24-12-10-23(33)11-13-24/h5-13,22,25-29,36,38H,14-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.220	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM819 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[(2S)-3-[(4...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H45FN4O7S3/c1-32(2,3)35-31(40)27-17-29-22(14-15-45-29)18-37(27)19-28(38)25(16-21-8-6-5-7-9-21)34-30(39)26(36-46(4,41)42)20-47(43,44)24-12-10-23(33)11-13-24/h5-13,22,25-29,36,38H,14-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27+,28-,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM318 ((2R,3R)-2-(propan-2-yl)thiolan-3-yl N-[(2S,3R)-4-[...) Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C30H47N3O4S2/c1-19(2)27-25(12-14-39-27)37-29(36)31-22(15-20-9-7-6-8-10-20)24(34)18-33-17-21-11-13-38-26(21)16-23(33)28(35)32-30(3,4)5/h6-10,19,21-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t21-,22+,23?,24-,25-,26+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285971 (CHEMBL95546 | [(1S,2R)-1-Benzyl-3-((3aR,6S,7aS)-6-...) Show SMILES CC(C)[C@H]1SCC[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C30H47N3O4S2/c1-19(2)27-25(12-14-39-27)37-29(36)31-22(15-20-9-7-6-8-10-20)24(34)18-33-17-21-11-13-38-26(21)16-23(33)28(35)32-30(3,4)5/h6-10,19,21-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t21-,22+,23+,24-,25-,26+,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM306 ((2S,3S)-2-methyloxolan-3-yl N-[(2R,3R)-4-[(3aR,7aS...) Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCO[C@H]1C)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H43N3O5S2/c1-18-24(10-12-35-18)36-27(34)29-21(17-38-20-8-6-5-7-9-20)23(32)16-31-15-19-11-13-37-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22?,23+,24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	0.280	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285969 (CHEMBL99336 | [(1R,2R)-3-((3aR,6S,7aS)-6-tert-Buty...) Show SMILES C[C@@H]1OCC[C@@H]1OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C28H43N3O5S2/c1-18-24(10-12-35-18)36-27(34)29-21(17-38-20-8-6-5-7-9-20)23(32)16-31-15-19-11-13-37-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22-,23+,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM810 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H52N4O6S2/c1-38(2,3)40-37(45)34-22-29-16-10-11-17-30(29)23-42(34)24-35(43)32(20-26-12-6-5-7-13-26)39-36(44)33(41-50(4,47)48)25-49(46)31-19-18-27-14-8-9-15-28(27)21-31/h5-9,12-15,18-19,21,29-30,32-35,41,43H,10-11,16-17,20,22-25H2,1-4H3,(H,39,44)(H,40,45)/t29-,30+,32-,33+,34-,35+,49?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	0.400	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM313 ((2S,3S)-2-methyl-1,1-dioxo--thiolan-3-yl N-[(2R,3R...) Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22?,23+,24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	0.400	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285976 (CHEMBL321949 | [(1R,2R)-3-((3aR,6S,7aS)-6-tert-But...) Show SMILES C[C@H]1[C@H](CCS1(=O)=O)OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22-,23+,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM810 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H52N4O6S2/c1-38(2,3)40-37(45)34-22-29-16-10-11-17-30(29)23-42(34)24-35(43)32(20-26-12-6-5-7-13-26)39-36(44)33(41-50(4,47)48)25-49(46)31-19-18-27-14-8-9-15-28(27)21-31/h5-9,12-15,18-19,21,29-30,32-35,41,43H,10-11,16-17,20,22-25H2,1-4H3,(H,39,44)(H,40,45)/t29-,30+,32-,33+,34-,35+,49?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM824 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[(2S)-2-ace...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(C)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C36H47N5O6S2/c1-23(42)38-28(22-49(46,47)32-14-8-12-25-13-9-16-37-33(25)32)34(44)39-27(18-24-10-6-5-7-11-24)30(43)21-41-20-26-15-17-48-31(26)19-29(41)35(45)40-36(2,3)4/h5-14,16,26-31,43H,15,17-22H2,1-4H3,(H,38,42)(H,39,44)(H,40,45)/t26-,27+,28-,29+,30-,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.420	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM824 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[(2S)-2-ace...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(C)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C36H47N5O6S2/c1-23(42)38-28(22-49(46,47)32-14-8-12-25-13-9-16-37-33(25)32)34(44)39-27(18-24-10-6-5-7-11-24)30(43)21-41-20-26-15-17-48-31(26)19-29(41)35(45)40-36(2,3)4/h5-14,16,26-31,43H,15,17-22H2,1-4H3,(H,38,42)(H,39,44)(H,40,45)/t26-,27+,28-,29+,30-,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285980 (CHEMBL97585 | LY-326188 | [(1R,2R)-3-((3aR,6S,7aS)...) Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C30H47N3O6S3/c1-19(2)27-25(12-14-42(27,37)38)39-29(36)31-22(18-41-21-9-7-6-8-10-21)24(34)17-33-16-20-11-13-40-26(20)15-23(33)28(35)32-30(3,4)5/h6-10,19-20,22-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t20-,22+,23+,24-,25-,26+,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM322 ((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C30H47N3O6S3/c1-19(2)27-25(12-14-42(27,37)38)39-29(36)31-22(18-41-21-9-7-6-8-10-21)24(34)17-33-16-20-11-13-40-26(20)15-23(33)28(35)32-30(3,4)5/h6-10,19-20,22-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t20-,22+,23?,24-,25-,26+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM820 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[(2S)-2-ace...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(C)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C37H48N4O6S2/c1-24(42)38-31(23-49(46,47)29-15-14-26-12-8-9-13-27(26)19-29)35(44)39-30(18-25-10-6-5-7-11-25)33(43)22-41-21-28-16-17-48-34(28)20-32(41)36(45)40-37(2,3)4/h5-15,19,28,30-34,43H,16-18,20-23H2,1-4H3,(H,38,42)(H,39,44)(H,40,45)/t28-,30+,31-,32+,33-,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.5	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM811 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H52N4O7S2/c1-38(2,3)40-37(45)34-22-29-16-10-11-17-30(29)23-42(34)24-35(43)32(20-26-12-6-5-7-13-26)39-36(44)33(41-50(4,46)47)25-51(48,49)31-19-18-27-14-8-9-15-28(27)21-31/h5-9,12-15,18-19,21,29-30,32-35,41,43H,10-11,16-17,20,22-25H2,1-4H3,(H,39,44)(H,40,45)/t29-,30+,32-,33+,34-,35+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.5	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM820 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[(2S)-2-ace...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(C)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C37H48N4O6S2/c1-24(42)38-31(23-49(46,47)29-15-14-26-12-8-9-13-27(26)19-29)35(44)39-30(18-25-10-6-5-7-11-25)33(43)22-41-21-28-16-17-48-34(28)20-32(41)36(45)40-37(2,3)4/h5-15,19,28,30-34,43H,16-18,20-23H2,1-4H3,(H,38,42)(H,39,44)(H,40,45)/t28-,30+,31-,32+,33-,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM811 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H52N4O7S2/c1-38(2,3)40-37(45)34-22-29-16-10-11-17-30(29)23-42(34)24-35(43)32(20-26-12-6-5-7-13-26)39-36(44)33(41-50(4,46)47)25-51(48,49)31-19-18-27-14-8-9-15-28(27)21-31/h5-9,12-15,18-19,21,29-30,32-35,41,43H,10-11,16-17,20,22-25H2,1-4H3,(H,39,44)(H,40,45)/t29-,30+,32-,33+,34-,35+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM807 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-3-[(4...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc(F)cc1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C34H49FN4O6S2/c1-34(2,3)37-33(42)30-19-24-12-8-9-13-25(24)20-39(30)21-31(40)28(18-23-10-6-5-7-11-23)36-32(41)29(38-47(4,44)45)22-46(43)27-16-14-26(35)15-17-27/h5-7,10-11,14-17,24-25,28-31,38,40H,8-9,12-13,18-22H2,1-4H3,(H,36,41)(H,37,42)/t24-,25+,28-,29+,30-,31+,46?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM807 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-3-[(4...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc(F)cc1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C34H49FN4O6S2/c1-34(2,3)37-33(42)30-19-24-12-8-9-13-25(24)20-39(30)21-31(40)28(18-23-10-6-5-7-11-23)36-32(41)29(38-47(4,44)45)22-46(43)27-16-14-26(35)15-17-27/h5-7,10-11,14-17,24-25,28-31,38,40H,8-9,12-13,18-22H2,1-4H3,(H,36,41)(H,37,42)/t24-,25+,28-,29+,30-,31+,46?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars		n/a	n/a	0.600	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM826 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NS(C)(=O)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C35H47N5O7S3/c1-35(2,3)38-34(43)28-19-30-25(15-17-48-30)20-40(28)21-29(41)26(18-23-10-6-5-7-11-23)37-33(42)27(39-49(4,44)45)22-50(46,47)31-14-8-12-24-13-9-16-36-32(24)31/h5-14,16,25-30,39,41H,15,17-22H2,1-4H3,(H,37,42)(H,38,43)/t25-,26+,27-,28+,29-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.710	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM826 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NS(C)(=O)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C35H47N5O7S3/c1-35(2,3)38-34(43)28-19-30-25(15-17-48-30)20-40(28)21-29(41)26(18-23-10-6-5-7-11-23)37-33(42)27(39-49(4,44)45)22-50(46,47)31-14-8-12-24-13-9-16-36-32(24)31/h5-14,16,25-30,39,41H,15,17-22H2,1-4H3,(H,37,42)(H,38,43)/t25-,26+,27-,28+,29-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM314 ((2R,3R)-2-methyl-1,1-dioxo--thiolan-3-yl N-[(2R,3R...) Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19-,21+,22?,23-,24-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	0.75	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285977 (CHEMBL99214 | [(1R,2R)-3-((3aR,6S,7aS)-6-tert-Buty...) Show SMILES C[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19-,21+,22+,23-,24-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM321 ((2S,3S)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C(C)C)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C30H47N3O6S3/c1-19(2)27-25(12-14-42(27,37)38)39-29(36)31-22(18-41-21-9-7-6-8-10-21)24(34)17-33-16-20-11-13-40-26(20)15-23(33)28(35)32-30(3,4)5/h6-10,19-20,22-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t20-,22+,23?,24-,25+,26+,27+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285982 (CHEMBL316717 | [(1R,2R)-3-((3aR,6S,7aS)-6-tert-But...) Show SMILES CC(C)[C@H]1[C@H](CCS1(=O)=O)OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C30H47N3O6S3/c1-19(2)27-25(12-14-42(27,37)38)39-29(36)31-22(18-41-21-9-7-6-8-10-21)24(34)17-33-16-20-11-13-40-26(20)15-23(33)28(35)32-30(3,4)5/h6-10,19-20,22-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t20-,22+,23+,24-,25+,26+,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM815 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[(2S)-2-ace...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NC(C)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C33H45FN4O6S2/c1-21(39)35-27(20-46(43,44)25-12-10-24(34)11-13-25)31(41)36-26(16-22-8-6-5-7-9-22)29(40)19-38-18-23-14-15-45-30(23)17-28(38)32(42)37-33(2,3)4/h5-13,23,26-30,40H,14-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t23-,26+,27-,28+,29-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.20	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM815 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-3-[(2S)-2-ace...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NC(C)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C33H45FN4O6S2/c1-21(39)35-27(20-46(43,44)25-12-10-24(34)11-13-25)31(41)36-26(16-22-8-6-5-7-9-22)29(40)19-38-18-23-14-15-45-30(23)17-28(38)32(42)37-33(2,3)4/h5-13,23,26-30,40H,14-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t23-,26+,27-,28+,29-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285975 (CHEMBL316718 | [(1S,2R)-1-Benzyl-3-((3aR,6S,7aS)-6...) Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C30H47N3O6S2/c1-19(2)27-25(12-14-41(27,37)38)39-29(36)31-22(15-20-9-7-6-8-10-20)24(34)18-33-17-21-11-13-40-26(21)16-23(33)28(35)32-30(3,4)5/h6-10,19,21-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t21-,22+,23+,24-,25-,26+,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM320 ((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C30H47N3O6S2/c1-19(2)27-25(12-14-41(27,37)38)39-29(36)31-22(15-20-9-7-6-8-10-20)24(34)18-33-17-21-11-13-40-26(21)16-23(33)28(35)32-30(3,4)5/h6-10,19,21-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t21-,22+,23?,24-,25-,26+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM312 ((2S,3R)-2-methyl-1,1-dioxo--thiolan-3-yl N-[(2R,3R...) Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22?,23+,24+,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285970 (CHEMBL318129 | [(1R,2R)-3-((3aR,6S,7aS)-6-tert-But...) Show SMILES C[C@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22-,23+,24+,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM812 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-ace...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(C)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C39H52N4O6S/c1-26(44)40-34(25-50(48,49)32-19-18-28-14-8-9-15-29(28)21-32)37(46)41-33(20-27-12-6-5-7-13-27)36(45)24-43-23-31-17-11-10-16-30(31)22-35(43)38(47)42-39(2,3)4/h5-9,12-15,18-19,21,30-31,33-36,45H,10-11,16-17,20,22-25H2,1-4H3,(H,40,44)(H,41,46)(H,42,47)/t30-,31+,33-,34+,35-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM812 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-ace...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(C)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C39H52N4O6S/c1-26(44)40-34(25-50(48,49)32-19-18-28-14-8-9-15-29(28)21-32)37(46)41-33(20-27-12-6-5-7-13-27)36(45)24-43-23-31-17-11-10-16-30(31)22-35(43)38(47)42-39(2,3)4/h5-9,12-15,18-19,21,30-31,33-36,45H,10-11,16-17,20,22-25H2,1-4H3,(H,40,44)(H,41,46)(H,42,47)/t30-,31+,33-,34+,35-,36+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.60	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285974 (CHEMBL100048 | [(1R,2R)-3-((3aR,6S,7aS)-6-tert-But...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2CN1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)C1 Show InChI InChI=1S/C27H41N3O6S3/c1-27(2,3)29-25(32)22-13-24-18(9-11-37-24)14-30(22)15-23(31)21(16-38-20-7-5-4-6-8-20)28-26(33)36-19-10-12-39(34,35)17-19/h4-8,18-19,21-24,31H,9-17H2,1-3H3,(H,28,33)(H,29,32)/t18-,19+,21+,22+,23-,24+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM813 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-ace...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(C)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H51N5O6S/c1-25(44)40-31(24-50(48,49)34-18-10-16-27-17-11-19-39-35(27)34)36(46)41-30(20-26-12-6-5-7-13-26)33(45)23-43-22-29-15-9-8-14-28(29)21-32(43)37(47)42-38(2,3)4/h5-7,10-13,16-19,28-33,45H,8-9,14-15,20-24H2,1-4H3,(H,40,44)(H,41,46)(H,42,47)/t28-,29+,30-,31+,32-,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.70	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM813 ((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-ace...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(C)=O)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H51N5O6S/c1-25(44)40-31(24-50(48,49)34-18-10-16-27-17-11-19-39-35(27)34)36(46)41-30(20-26-12-6-5-7-13-26)33(45)23-43-22-29-15-9-8-14-28(29)21-32(43)37(47)42-38(2,3)4/h5-7,10-13,16-19,28-33,45H,8-9,14-15,20-24H2,1-4H3,(H,40,44)(H,41,46)(H,42,47)/t28-,29+,30-,31+,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM308 ((3S)-1,1-dioxo--thiolan-3-yl N-[(2R,3R)-4-[(3aR,7a...) Show SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)C1)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C27H41N3O6S3/c1-27(2,3)29-25(32)22-13-24-18(9-11-37-24)14-30(22)15-23(31)21(16-38-20-7-5-4-6-8-20)28-26(33)36-19-10-12-39(34,35)17-19/h4-8,18-19,21-24,31H,9-17H2,1-3H3,(H,28,33)(H,29,32)/t18-,19+,21+,22?,23-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM822 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-2-hydroxy-3-[...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C37H45F3N4O6S3/c1-36(2,3)43-34(47)30-18-32-25(15-16-51-32)19-44(30)20-31(45)28(21-52-26-11-5-4-6-12-26)41-33(46)29(42-35(48)37(38,39)40)22-53(49,50)27-14-13-23-9-7-8-10-24(23)17-27/h4-14,17,25,28-32,45H,15-16,18-22H2,1-3H3,(H,41,46)(H,42,48)(H,43,47)/t25-,28+,29-,30+,31-,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM816 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-3-[(2S)-2-ace...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NC(C)=O)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C33H45FN4O6S3/c1-21(39)35-27(20-47(43,44)25-12-10-23(34)11-13-25)31(41)36-26(19-46-24-8-6-5-7-9-24)29(40)18-38-17-22-14-15-45-30(22)16-28(38)32(42)37-33(2,3)4/h5-13,22,26-30,40H,14-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t22-,26+,27-,28+,29-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM822 ((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-2-hydroxy-3-[...) Show SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C37H45F3N4O6S3/c1-36(2,3)43-34(47)30-18-32-25(15-16-51-32)19-44(30)20-31(45)28(21-52-26-11-5-4-6-12-26)41-33(46)29(42-35(48)37(38,39)40)22-53(49,50)27-14-13-23-9-7-8-10-24(23)17-27/h4-14,17,25,28-32,45H,15-16,18-22H2,1-3H3,(H,41,46)(H,42,48)(H,43,47)/t25-,28+,29-,30+,31-,32+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.80	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair

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