Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'wiskerchen' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	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
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)	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)	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
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)	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)	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)	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)	BDBM50213827 (CHEMBL351834) Show SMILES [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](CSc1ccc3ccccc3c1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)C2)C(=O)NC(C)(C)C Show InChI InChI=1S/C42H52N6O5S/c1-42(2,3)47-41(53)36-21-29-13-6-7-14-30(29)23-48(36)24-37(49)35(25-54-31-18-16-26-10-4-5-12-28(26)20-31)46-40(52)34(22-38(43)50)45-39(51)33-19-17-27-11-8-9-15-32(27)44-33/h4-5,8-12,15-20,29-30,34-37,49H,6-7,13-14,21-25H2,1-3H3,(H2,43,50)(H,45,51)(H,46,52)(H,47,53)/t29-,30+,34-,35-,36-,37+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 715-720 (1995) Article DOI: 10.1016/0960-894X(95)00101-X BindingDB Entry DOI: 10.7270/Q2K937HR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50213826 (CHEMBL164045) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C39H41N5O5S/c1-39(2,3)44-36(47)29-14-8-6-13-27(29)21-34(45)33(23-50-28-18-16-24-10-4-5-12-26(24)20-28)43-38(49)32(22-35(40)46)42-37(48)31-19-17-25-11-7-9-15-30(25)41-31/h4-20,32-34,45H,21-23H2,1-3H3,(H2,40,46)(H,42,48)(H,43,49)(H,44,47)/t32-,33-,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 715-720 (1995) Article DOI: 10.1016/0960-894X(95)00101-X BindingDB Entry DOI: 10.7270/Q2K937HR
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9618 ((S)-N-(1S,2R)-[3-[2-[[1,1-Dimethylethyl)amino]carb...) Show SMILES CC(=O)N[C@H](CS(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C35H40N4O5S/c1-23(40)36-30(22-45(44)32-19-18-25-14-9-11-17-28(25)37-32)34(43)38-29(20-24-12-6-5-7-13-24)31(41)21-26-15-8-10-16-27(26)33(42)39-35(2,3)4/h5-19,29-31,41H,20-22H2,1-4H3,(H,36,40)(H,38,43)(H,39,42)/t29-,30+,31+,45?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	5.5	37
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...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
					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)	BDBM9619 (D-Cysteine Analog 15b | N-tert-butyl-2-[(2R,3S)-3-...) Show SMILES CC(=O)N[C@H](CS(=O)(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C35H40N4O6S/c1-23(40)36-30(22-46(44,45)32-19-18-25-14-9-11-17-28(25)37-32)34(43)38-29(20-24-12-6-5-7-13-24)31(41)21-26-15-8-10-16-27(26)33(42)39-35(2,3)4/h5-19,29-31,41H,20-22H2,1-4H3,(H,36,40)(H,38,43)(H,39,42)/t29-,30+,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	5.5	37
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...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
					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)	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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9641 ((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O |r| Show InChI InChI=1S/C35H41N3O7S2/c1-35(2,3)37-33(40)29-17-11-10-16-27(29)22-32(39)30(20-24-12-6-5-7-13-24)36-34(41)31(38-46(4,42)43)23-47(44,45)28-19-18-25-14-8-9-15-26(25)21-28/h5-19,21,30-32,38-39H,20,22-23H2,1-4H3,(H,36,41)(H,37,40)/t30-,31+,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	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...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50121513 ((3aR,6S,7aS)-5-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) Show SMILES Cc1c(O)cccc1C(=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/C30H41N3O4S2/c1-19-22(11-8-12-25(19)34)28(36)31-23(18-39-21-9-6-5-7-10-21)26(35)17-33-16-20-13-14-38-27(20)15-24(33)29(37)32-30(2,3)4/h5-12,20,23-24,26-27,34-35H,13-18H2,1-4H3,(H,31,36)(H,32,37)/t20-,23+,24+,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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration required against HIV-1 protease				Bioorg Med Chem Lett 5: 2885-2890 (1995) Article DOI: 10.1016/0960-894X(95)00506-O BindingDB Entry DOI: 10.7270/Q2930T45
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9620 ((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...) Show SMILES CC(=O)N[C@H](CS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C36H41N3O6S/c1-24(40)37-32(23-46(44,45)29-19-18-26-14-8-9-15-27(26)21-29)35(43)38-31(20-25-12-6-5-7-13-25)33(41)22-28-16-10-11-17-30(28)34(42)39-36(2,3)4/h5-19,21,31-33,41H,20,22-23H2,1-4H3,(H,37,40)(H,38,43)(H,39,42)/t31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	5.5	37
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...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9648 ((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(Cl)cc1)NS(C)(=O)=O |r| Show InChI InChI=1S/C31H38ClN3O7S2/c1-31(2,3)34-29(37)25-13-9-8-12-22(25)19-28(36)26(18-21-10-6-5-7-11-21)33-30(38)27(35-43(4,39)40)20-44(41,42)24-16-14-23(32)15-17-24/h5-17,26-28,35-36H,18-20H2,1-4H3,(H,33,38)(H,34,37)/t26-,27+,28+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	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...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9636 ((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc(F)cc1)NS(C)(=O)=O |r| Show InChI InChI=1S/C31H38FN3O6S2/c1-31(2,3)34-29(37)25-13-9-8-12-22(25)19-28(36)26(18-21-10-6-5-7-11-21)33-30(38)27(35-43(4,40)41)20-42(39)24-16-14-23(32)15-17-24/h5-17,26-28,35-36H,18-20H2,1-4H3,(H,33,38)(H,34,37)/t26-,27+,28+,42?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	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...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
					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
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)	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)	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)	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)	BDBM9643 ((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc2ccccc12)NS(C)(=O)=O |r| Show InChI InChI=1S/C35H41N3O7S2/c1-35(2,3)37-33(40)28-19-11-9-16-26(28)22-31(39)29(21-24-13-6-5-7-14-24)36-34(41)30(38-46(4,42)43)23-47(44,45)32-20-12-17-25-15-8-10-18-27(25)32/h5-20,29-31,38-39H,21-23H2,1-4H3,(H,36,41)(H,37,40)/t29-,30+,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	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...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9634 ((S)-N-(1S,2R)-[3-[2-[[1,1-Dimethylethyl)amino]carb...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1cccc2ccccc12)NS(C)(=O)=O |r| Show InChI InChI=1S/C35H41N3O6S2/c1-35(2,3)37-33(40)28-19-11-9-16-26(28)22-31(39)29(21-24-13-6-5-7-14-24)36-34(41)30(38-46(4,43)44)23-45(42)32-20-12-17-25-15-8-10-18-27(25)32/h5-20,29-31,38-39H,21-23H2,1-4H3,(H,36,41)(H,37,40)/t29-,30+,31+,45?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.450	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...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
					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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285964 ((3aR,6S,7aS)-5-[(2R,3S)-2-Hydroxy-3-(3-hydroxy-2-m...) Show SMILES Cc1c(O)cccc1C(=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/C30H41N3O4S/c1-19-22(11-8-12-25(19)34)28(36)31-23(15-20-9-6-5-7-10-20)26(35)18-33-17-21-13-14-38-27(21)16-24(33)29(37)32-30(2,3)4/h5-12,21,23-24,26-27,34-35H,13-18H2,1-4H3,(H,31,36)(H,32,37)/t21-,23+,24+,26-,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration required against HIV-1 protease				Bioorg Med Chem Lett 5: 2885-2890 (1995) Article DOI: 10.1016/0960-894X(95)00506-O BindingDB Entry DOI: 10.7270/Q2930T45
					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)	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)	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)	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
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)	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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9645 ((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O |r| Show InChI InChI=1S/C31H38FN3O7S2/c1-31(2,3)34-29(37)25-13-9-8-12-22(25)19-28(36)26(18-21-10-6-5-7-11-21)33-30(38)27(35-43(4,39)40)20-44(41,42)24-16-14-23(32)15-17-24/h5-17,26-28,35-36H,18-20H2,1-4H3,(H,33,38)(H,34,37)/t26-,27+,28+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.770	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...				J Med Chem 39: 96-108 (1996) Article DOI: 10.1021/jm950576c BindingDB Entry DOI: 10.7270/Q23R0R3K
					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)
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
TBA Curated by ChEMBL					Assay Description Inhibitory concentration required against HIV-1 protease				Bioorg Med Chem Lett 5: 2885-2890 (1995) Article DOI: 10.1016/0960-894X(95)00506-O BindingDB Entry DOI: 10.7270/Q2930T45
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286688 ((S)-2-Acetylamino-N*1*-[(1R,2R)-3-(2-tert-butylcar...) Show SMILES CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C Show InChI InChI=1S/C31H38N4O5S/c1-19(36)33-25(17-28(32)38)30(40)34-26(18-41-23-14-13-20-9-5-6-10-21(20)15-23)27(37)16-22-11-7-8-12-24(22)29(39)35-31(2,3)4/h5-15,25-27,37H,16-18H2,1-4H3,(H2,32,38)(H,33,36)(H,34,40)(H,35,39)/t25-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 715-720 (1995) Article DOI: 10.1016/0960-894X(95)00101-X BindingDB Entry DOI: 10.7270/Q2K937HR
					More data for this Ligand-Target Pair

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