Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'colacino' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Genome polyprotein (Human rhinovirus B)	BDBM50137724 ((3aR,5S)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyraz...) Show SMILES CCCC(NC(=O)C1[C@H]2CCC(=O)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H45N7O7/c1-6-10-24(30(44)34(48)38-21-11-8-7-9-12-21)39-33(47)29-22-13-14-26(43)23(22)18-42(29)35(49)28(20(4)5)41-32(46)27(19(2)3)40-31(45)25-17-36-15-16-37-25/h7-9,11-12,15-17,19-20,22-24,27-29H,6,10,13-14,18H2,1-5H3,(H,38,48)(H,39,47)(H,40,45)(H,41,46)/t22-,23-,24?,27-,28-,29?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137721 (2-(3-{[(1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C38H51N7O8/c1-6-11-26(32(46)36(50)42-27(38(52)53)18-23-12-8-7-9-13-23)41-35(49)31-25-15-10-14-24(25)20-45(31)37(51)30(22(4)5)44-34(48)29(21(2)3)43-33(47)28-19-39-16-17-40-28/h7-9,12-13,16-17,19,21-22,24-27,29-31H,6,10-11,14-15,18,20H2,1-5H3,(H,41,49)(H,42,50)(H,43,47)(H,44,48)(H,52,53)/t24-,25-,26?,27-,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137713 ((S)-2-((S)-3-{[(1S,5S,6R)-4-Fluoro-2-((S)-3-methyl...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C38H50FN7O8/c1-6-10-26(32(47)36(51)43-27(38(53)54)17-22-11-8-7-9-12-22)42-35(50)31-23-13-14-25(39)24(23)19-46(31)37(52)30(21(4)5)45-34(49)29(20(2)3)44-33(48)28-18-40-15-16-41-28/h7-9,11-12,15-16,18,20-21,23-27,29-31H,6,10,13-14,17,19H2,1-5H3,(H,42,50)(H,43,51)(H,44,48)(H,45,49)(H,53,54)/t23-,24-,25-,26?,27-,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137718 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 |c:10| Show InChI InChI=1S/C32H45N7O6/c1-6-8-22(27(40)31(44)35-20-11-12-20)36-30(43)26-21-10-7-9-19(21)16-39(26)32(45)25(18(4)5)38-29(42)24(17(2)3)37-28(41)23-15-33-13-14-34-23/h7,9,13-15,17-22,24-26H,6,8,10-12,16H2,1-5H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t19-,21-,22?,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137720 ((1S,3aR,6aS)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(p...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 Show InChI InChI=1S/C32H47N7O6/c1-6-8-22(27(40)31(44)35-20-11-12-20)36-30(43)26-21-10-7-9-19(21)16-39(26)32(45)25(18(4)5)38-29(42)24(17(2)3)37-28(41)23-15-33-13-14-34-23/h13-15,17-22,24-26H,6-12,16H2,1-5H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t19-,21-,22?,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137722 ((S)-2-(3-{[(1S,5S,6R)-4,4-Difluoro-2-((S)-3-methyl...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C38H49F2N7O8/c1-6-10-25(31(48)35(52)44-26(37(54)55)17-22-11-8-7-9-12-22)43-34(51)30-23-13-14-38(39,40)24(23)19-47(30)36(53)29(21(4)5)46-33(50)28(20(2)3)45-32(49)27-18-41-15-16-42-27/h7-9,11-12,15-16,18,20-21,23-26,28-30H,6,10,13-14,17,19H2,1-5H3,(H,43,51)(H,44,52)(H,45,49)(H,46,50)(H,54,55)/t23-,24-,25?,26-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137717 ((1S,5S,6R)-4-Fluoro-2-((S)-3-methyl-2-{(S)-3-methy...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 Show InChI InChI=1S/C32H46FN7O6/c1-6-7-22(27(41)31(45)36-18-8-9-18)37-30(44)26-19-10-11-21(33)20(19)15-40(26)32(46)25(17(4)5)39-29(43)24(16(2)3)38-28(42)23-14-34-12-13-35-23/h12-14,16-22,24-26H,6-11,15H2,1-5H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t19-,20-,21-,22?,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137727 ((1S,5S,6R)-4-Fluoro-2-((S)-3-methyl-2-{(S)-3-methy...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C37H50FN7O6/c1-7-11-27(32(46)36(50)41-22(6)23-12-9-8-10-13-23)42-35(49)31-24-14-15-26(38)25(24)19-45(31)37(51)30(21(4)5)44-34(48)29(20(2)3)43-33(47)28-18-39-16-17-40-28/h8-10,12-13,16-18,20-22,24-27,29-31H,7,11,14-15,19H2,1-6H3,(H,41,50)(H,42,49)(H,43,47)(H,44,48)/t22-,24-,25-,26-,27?,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	315	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137723 ((1S,5S)-4-Methoxymethoxy-2-((S)-3-methyl-2-{(S)-3-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@@H](OCOC)C2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C39H55N7O8/c1-8-12-28(34(47)38(51)42-24(6)25-13-10-9-11-14-25)43-37(50)33-26-15-16-30(54-21-53-7)27(26)20-46(33)39(52)32(23(4)5)45-36(49)31(22(2)3)44-35(48)29-19-40-17-18-41-29/h9-11,13-14,17-19,22-24,26-28,30-33H,8,12,15-16,20-21H2,1-7H3,(H,42,51)(H,43,50)(H,44,48)(H,45,49)/t24-,26-,27?,28?,30+,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	332	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Cytotoxic activity against Protease in rat liver Huh-7 cells				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137719 ((1S,5S,6R)-4,4-Difluoro-2-((S)-3-methyl-2-{(S)-3-m...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 Show InChI InChI=1S/C32H45F2N7O6/c1-6-7-21(26(42)30(46)37-18-8-9-18)38-29(45)25-19-10-11-32(33,34)20(19)15-41(25)31(47)24(17(4)5)40-28(44)23(16(2)3)39-27(43)22-14-35-12-13-36-22/h12-14,16-21,23-25H,6-11,15H2,1-5H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t19-,20-,21?,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137725 ((1S,5S)-4-Methoxymethoxy-2-((S)-3-methyl-2-{(S)-3-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC[C@@H](OCOC)C2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 Show InChI InChI=1S/C34H51N7O8/c1-7-8-23(29(42)33(46)37-20-9-10-20)38-32(45)28-21-11-12-25(49-17-48-6)22(21)16-41(28)34(47)27(19(4)5)40-31(44)26(18(2)3)39-30(43)24-15-35-13-14-36-24/h13-15,18-23,25-28H,7-12,16-17H2,1-6H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t21-,22?,23?,25+,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Cytotoxic activity against Protease in rat liver Huh-7 cells				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137728 ((5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyrazi...) Show SMILES CCCC(NC(=O)C1[C@H]2CCC(=O)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 Show InChI InChI=1S/C32H45N7O7/c1-6-7-21(27(41)31(45)35-18-8-9-18)36-30(44)26-19-10-11-23(40)20(19)15-39(26)32(46)25(17(4)5)38-29(43)24(16(2)3)37-28(42)22-14-33-12-13-34-22/h12-14,16-21,24-26H,6-11,15H2,1-5H3,(H,35,45)(H,36,44)(H,37,42)(H,38,43)/t19-,20-,21?,24-,25-,26?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Cytotoxic activity against Protease in rat liver Huh-7 cells				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137714 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)CC |c:10| Show InChI InChI=1S/C33H49N7O6/c1-8-11-23(28(41)32(45)36-20(7)9-2)37-31(44)27-22-13-10-12-21(22)17-40(27)33(46)26(19(5)6)39-30(43)25(18(3)4)38-29(42)24-16-34-14-15-35-24/h10,12,14-16,18-23,25-27H,8-9,11,13,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t20-,21-,22-,23?,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	625	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137716 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 |c:10| Show InChI InChI=1S/C37H49N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-11,13-15,17-19,21-23,25-27,29-31H,7,12,16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137726 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)CC Show InChI InChI=1S/C33H51N7O6/c1-8-11-23(28(41)32(45)36-20(7)9-2)37-31(44)27-22-13-10-12-21(22)17-40(27)33(46)26(19(5)6)39-30(43)25(18(3)4)38-29(42)24-16-34-14-15-35-24/h14-16,18-23,25-27H,8-13,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t20-,21-,22-,23?,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50137715 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C37H51N7O6/c1-7-12-27(32(45)36(49)40-23(6)24-13-9-8-10-14-24)41-35(48)31-26-16-11-15-25(26)20-44(31)37(50)30(22(4)5)43-34(47)29(21(2)3)42-33(46)28-19-38-17-18-39-28/h8-10,13-14,17-19,21-23,25-27,29-31H,7,11-12,15-16,20H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t23-,25-,26-,27?,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					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)	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
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)	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
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
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
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
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
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
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
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
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
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
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)	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
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)	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)	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
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
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

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