Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1135   

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,Q496K] (Human immunodeficiency virus type 1)	BDBM9159 ((2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H39ClF3N5O6/c37-28-8-3-6-23-15-26(51-33(23)28)18-44-11-12-45(29(19-44)35(49)42-21-36(38,39)40)17-25(46)14-24(13-22-5-4-10-41-16-22)34(48)43-32-27-7-1-2-9-31(27)50-20-30(32)47/h1-10,15-16,24-25,29-30,32,46-47H,11-14,17-21H2,(H,42,49)(H,43,48)/t24-,25+,29+,30-,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9155 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C34H38F3N5O5S2/c35-34(36,37)20-39-32(46)27-18-41(17-25-14-22-7-11-48-33(22)49-25)9-10-42(27)16-24(43)13-23(12-21-4-3-8-38-15-21)31(45)40-30-26-5-1-2-6-29(26)47-19-28(30)44/h1-8,11,14-15,23-24,27-28,30,43-44H,9-10,12-13,16-20H2,(H,39,46)(H,40,45)/t23-,24+,27+,28-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9160 ((2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H39ClF3N5O6/c37-28-6-3-4-23-16-26(51-33(23)28)18-44-12-13-45(29(19-44)35(49)42-21-36(38,39)40)17-25(46)15-24(14-22-8-10-41-11-9-22)34(48)43-32-27-5-1-2-7-31(27)50-20-30(32)47/h1-11,16,24-25,29-30,32,46-47H,12-15,17-21H2,(H,42,49)(H,43,48)/t24-,25+,29+,30-,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9157 ((2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydr...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H40F3N5O6/c37-36(38,39)22-41-35(48)29-20-43(19-27-16-24-7-1-3-9-31(24)50-27)12-13-44(29)18-26(45)15-25(14-23-6-5-11-40-17-23)34(47)42-33-28-8-2-4-10-32(28)49-21-30(33)46/h1-11,16-17,25-26,29-30,33,45-46H,12-15,18-22H2,(H,41,48)(H,42,47)/t25-,26+,29+,30-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9154 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccc2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C38H42F3N5O6/c39-38(40,41)24-43-37(50)31-22-45(21-29-10-11-33(52-29)26-6-2-1-3-7-26)16-17-46(31)20-28(47)19-27(18-25-12-14-42-15-13-25)36(49)44-35-30-8-4-5-9-34(30)51-23-32(35)48/h1-15,27-28,31-32,35,47-48H,16-24H2,(H,43,50)(H,44,49)/t27-,28+,31+,32-,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9156 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C34H38F3N5O5S2/c35-34(36,37)20-39-32(46)27-18-41(17-25-15-22-7-12-48-33(22)49-25)10-11-42(27)16-24(43)14-23(13-21-5-8-38-9-6-21)31(45)40-30-26-3-1-2-4-29(26)47-19-28(30)44/h1-9,12,15,23-24,27-28,30,43-44H,10-11,13-14,16-20H2,(H,39,46)(H,40,45)/t23-,24+,27+,28-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9158 ((2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydr...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H40F3N5O6/c37-36(38,39)22-41-35(48)29-20-43(19-27-17-24-5-1-3-7-31(24)50-27)13-14-44(29)18-26(45)16-25(15-23-9-11-40-12-10-23)34(47)42-33-28-6-2-4-8-32(28)49-21-30(33)46/h1-12,17,25-26,29-30,33,45-46H,13-16,18-22H2,(H,41,48)(H,42,47)/t25-,26+,29+,30-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9154 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccc2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C38H42F3N5O6/c39-38(40,41)24-43-37(50)31-22-45(21-29-10-11-33(52-29)26-6-2-1-3-7-26)16-17-46(31)20-28(47)19-27(18-25-12-14-42-15-13-25)36(49)44-35-30-8-4-5-9-34(30)51-23-32(35)48/h1-15,27-28,31-32,35,47-48H,16-24H2,(H,43,50)(H,44,49)/t27-,28+,31+,32-,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9159 ((2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H39ClF3N5O6/c37-28-8-3-6-23-15-26(51-33(23)28)18-44-11-12-45(29(19-44)35(49)42-21-36(38,39)40)17-25(46)14-24(13-22-5-4-10-41-16-22)34(48)43-32-27-7-1-2-9-31(27)50-20-30(32)47/h1-10,15-16,24-25,29-30,32,46-47H,11-14,17-21H2,(H,42,49)(H,43,48)/t24-,25+,29+,30-,32+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9160 ((2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H39ClF3N5O6/c37-28-6-3-4-23-16-26(51-33(23)28)18-44-12-13-45(29(19-44)35(49)42-21-36(38,39)40)17-25(46)15-24(14-22-8-10-41-11-9-22)34(48)43-32-27-5-1-2-7-31(27)50-20-30(32)47/h1-11,16,24-25,29-30,32,46-47H,12-15,17-21H2,(H,42,49)(H,43,48)/t24-,25+,29+,30-,32+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,N526S,R530K,M535I,I543V,I551V,L552P,A560V,V566I,V571A,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9154 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccc2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C38H42F3N5O6/c39-38(40,41)24-43-37(50)31-22-45(21-29-10-11-33(52-29)26-6-2-1-3-7-26)16-17-46(31)20-28(47)19-27(18-25-12-14-42-15-13-25)36(49)44-35-30-8-4-5-9-34(30)51-23-32(35)48/h1-15,27-28,31-32,35,47-48H,16-24H2,(H,43,50)(H,44,49)/t27-,28+,31+,32-,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9154 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccc2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C38H42F3N5O6/c39-38(40,41)24-43-37(50)31-22-45(21-29-10-11-33(52-29)26-6-2-1-3-7-26)16-17-46(31)20-28(47)19-27(18-25-12-14-42-15-13-25)36(49)44-35-30-8-4-5-9-34(30)51-23-32(35)48/h1-15,27-28,31-32,35,47-48H,16-24H2,(H,43,50)(H,44,49)/t27-,28+,31+,32-,35+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9155 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C34H38F3N5O5S2/c35-34(36,37)20-39-32(46)27-18-41(17-25-14-22-7-11-48-33(22)49-25)9-10-42(27)16-24(43)13-23(12-21-4-3-8-38-15-21)31(45)40-30-26-5-1-2-6-29(26)47-19-28(30)44/h1-8,11,14-15,23-24,27-28,30,43-44H,9-10,12-13,16-20H2,(H,39,46)(H,40,45)/t23-,24+,27+,28-,30+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9160 ((2S)-4-[(7-chloro-1-benzofuran-2-yl)methyl]-1-[(2S...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H39ClF3N5O6/c37-28-6-3-4-23-16-26(51-33(23)28)18-44-12-13-45(29(19-44)35(49)42-21-36(38,39)40)17-25(46)15-24(14-22-8-10-41-11-9-22)34(48)43-32-27-5-1-2-7-31(27)50-20-30(32)47/h1-11,16,24-25,29-30,32,46-47H,12-15,17-21H2,(H,42,49)(H,43,48)/t24-,25+,29+,30-,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9156 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C34H38F3N5O5S2/c35-34(36,37)20-39-32(46)27-18-41(17-25-15-22-7-12-48-33(22)49-25)10-11-42(27)16-24(43)14-23(13-21-5-8-38-9-6-21)31(45)40-30-26-3-1-2-4-29(26)47-19-28(30)44/h1-9,12,15,23-24,27-28,30,43-44H,10-11,13-14,16-20H2,(H,39,46)(H,40,45)/t23-,24+,27+,28-,30+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9157 ((2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydr...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H40F3N5O6/c37-36(38,39)22-41-35(48)29-20-43(19-27-16-24-7-1-3-9-31(24)50-27)12-13-44(29)18-26(45)15-25(14-23-6-5-11-40-17-23)34(47)42-33-28-8-2-4-10-32(28)49-21-30(33)46/h1-11,16-17,25-26,29-30,33,45-46H,12-15,18-22H2,(H,41,48)(H,42,47)/t25-,26+,29+,30-,33+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,N526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9158 ((2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydr...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H40F3N5O6/c37-36(38,39)22-41-35(48)29-20-43(19-27-17-24-5-1-3-7-31(24)50-27)13-14-44(29)18-26(45)16-25(15-23-9-11-40-12-10-23)34(47)42-33-28-6-2-4-8-32(28)49-21-30(33)46/h1-12,17,25-26,29-30,33,45-46H,13-16,18-22H2,(H,41,48)(H,42,47)/t25-,26+,29+,30-,33+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,N526S,R530K,M535I,I543V,I551V,L552P,A560V,V566I,V571A,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9157 ((2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydr...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H40F3N5O6/c37-36(38,39)22-41-35(48)29-20-43(19-27-16-24-7-1-3-9-31(24)50-27)12-13-44(29)18-26(45)15-25(14-23-6-5-11-40-17-23)34(47)42-33-28-8-2-4-10-32(28)49-21-30(33)46/h1-11,16-17,25-26,29-30,33,45-46H,12-15,18-22H2,(H,41,48)(H,42,47)/t25-,26+,29+,30-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,N526S,R530K,M535I,I543V,I551V,L552P,A560V,V566I,V571A,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9155 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C34H38F3N5O5S2/c35-34(36,37)20-39-32(46)27-18-41(17-25-14-22-7-11-48-33(22)49-25)9-10-42(27)16-24(43)13-23(12-21-4-3-8-38-15-21)31(45)40-30-26-5-1-2-6-29(26)47-19-28(30)44/h1-8,11,14-15,23-24,27-28,30,43-44H,9-10,12-13,16-20H2,(H,39,46)(H,40,45)/t23-,24+,27+,28-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9157 ((2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydr...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H40F3N5O6/c37-36(38,39)22-41-35(48)29-20-43(19-27-16-24-7-1-3-9-31(24)50-27)12-13-44(29)18-26(45)15-25(14-23-6-5-11-40-17-23)34(47)42-33-28-8-2-4-10-32(28)49-21-30(33)46/h1-11,16-17,25-26,29-30,33,45-46H,12-15,18-22H2,(H,41,48)(H,42,47)/t25-,26+,29+,30-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,N526S,R530K,M535I,I543V,I551V,L552P,A560V,V566I,V571A,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9156 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C34H38F3N5O5S2/c35-34(36,37)20-39-32(46)27-18-41(17-25-15-22-7-12-48-33(22)49-25)10-11-42(27)16-24(43)14-23(13-21-5-8-38-9-6-21)31(45)40-30-26-3-1-2-4-29(26)47-19-28(30)44/h1-9,12,15,23-24,27-28,30,43-44H,10-11,13-14,16-20H2,(H,39,46)(H,40,45)/t23-,24+,27+,28-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9155 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C34H38F3N5O5S2/c35-34(36,37)20-39-32(46)27-18-41(17-25-14-22-7-11-48-33(22)49-25)9-10-42(27)16-24(43)13-23(12-21-4-3-8-38-15-21)31(45)40-30-26-5-1-2-6-29(26)47-19-28(30)44/h1-8,11,14-15,23-24,27-28,30,43-44H,9-10,12-13,16-20H2,(H,39,46)(H,40,45)/t23-,24+,27+,28-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9158 ((2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydr...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C36H40F3N5O6/c37-36(38,39)22-41-35(48)29-20-43(19-27-17-24-5-1-3-7-31(24)50-27)13-14-44(29)18-26(45)16-25(15-23-9-11-40-12-10-23)34(47)42-33-28-6-2-4-8-32(28)49-21-30(33)46/h1-12,17,25-26,29-30,33,45-46H,13-16,18-22H2,(H,41,48)(H,42,47)/t25-,26+,29+,30-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L] (Human immunodeficiency virus type 1)	BDBM9156 ((2S)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C34H38F3N5O5S2/c35-34(36,37)20-39-32(46)27-18-41(17-25-15-22-7-12-48-33(22)49-25)10-11-42(27)16-24(43)14-23(13-21-5-8-38-9-6-21)31(45)40-30-26-3-1-2-4-29(26)47-19-28(30)44/h1-9,12,15,23-24,27-28,30,43-44H,10-11,13-14,16-20H2,(H,39,46)(H,40,45)/t23-,24+,27+,28-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 3323-6 (2003) Article DOI: 10.1016/s0960-894x(03)00680-2 BindingDB Entry DOI: 10.7270/Q2K072GN
					More data for this Ligand-Target Pair