Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'bohn' 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
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9098 ((2S)-4-{2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]prop...) Show SMILES CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3ccncc3s2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C41H44ClF3N6O6S/c1-40(2,39-47-18-34(57-39)24-7-9-27(42)10-8-24)51-14-13-50(31(21-51)38(55)48-23-41(43,44)45)20-28(52)15-26(17-29-16-25-11-12-46-19-35(25)58-29)37(54)49-36-30-5-3-4-6-33(30)56-22-32(36)53/h3-12,16,18-19,26,28,31-32,36,52-53H,13-15,17,20-23H2,1-2H3,(H,48,55)(H,49,54)/t26-,28-,31-,32+,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem 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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9097 ((2S)-4-{2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]prop...) Show SMILES CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3ccncc3o2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C41H44ClF3N6O7/c1-40(2,39-47-19-35(58-39)24-7-9-27(42)10-8-24)51-14-13-50(31(21-51)38(55)48-23-41(43,44)45)20-28(52)15-26(17-29-16-25-11-12-46-18-34(25)57-29)37(54)49-36-30-5-3-4-6-33(30)56-22-32(36)53/h3-12,16,18-19,26,28,31-32,36,52-53H,13-15,17,20-23H2,1-2H3,(H,48,55)(H,49,54)/t26-,28-,31-,32+,36-/m0/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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9091 ((2S)-4-{2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]prop...) Show SMILES CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3cnccc3s2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C41H44ClF3N6O6S/c1-40(2,39-47-19-34(57-39)24-7-9-27(42)10-8-24)51-14-13-50(31(21-51)38(55)48-23-41(43,44)45)20-28(52)15-25(16-29-17-26-18-46-12-11-35(26)58-29)37(54)49-36-30-5-3-4-6-33(30)56-22-32(36)53/h3-12,17-19,25,28,31-32,36,52-53H,13-16,20-23H2,1-2H3,(H,48,55)(H,49,54)/t25-,28-,31-,32+,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem 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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9099 ((2S)-4-{2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]prop...) Show SMILES CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3c(Cl)cncc3s2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C41H43Cl2F3N6O6S/c1-40(2,39-48-17-34(58-39)23-7-9-25(42)10-8-23)52-12-11-51(31(20-52)38(56)49-22-41(44,45)46)19-26(53)13-24(14-27-15-29-30(43)16-47-18-35(29)59-27)37(55)50-36-28-5-3-4-6-33(28)57-21-32(36)54/h3-10,15-18,24,26,31-32,36,53-54H,11-14,19-22H2,1-2H3,(H,49,56)(H,50,55)/t24-,26-,31-,32+,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem 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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9102 ((2S)-4-{2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]pro...) Show SMILES Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(s2)-c2ccc(Cl)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r| Show InChI InChI=1S/C44H48ClF3N6O6S/c1-26-14-15-49-20-33(26)37-13-12-31(60-37)19-28(40(57)52-39-32-6-4-5-7-36(32)59-24-35(39)56)18-30(55)22-53-16-17-54(23-34(53)41(58)51-25-44(46,47)48)43(2,3)42-50-21-38(61-42)27-8-10-29(45)11-9-27/h4-15,20-21,28,30,34-35,39,55-56H,16-19,22-25H2,1-3H3,(H,51,58)(H,52,57)/t28-,30-,34-,35+,39-/m0/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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127974 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccc(Cl)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H40ClN3O6S/c1-21-10-9-14-26(36)25(21)18-37-33(43)31-35(2,3)46-20-39(31)34(44)27(40)17-23(16-22-11-5-4-6-12-22)32(42)38-30-24-13-7-8-15-29(24)45-19-28(30)41/h4-15,23,27-28,30-31,40-41H,16-20H2,1-3H3,(H,37,43)(H,38,42)/t23-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9093 ((2S)-4-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1-[(...) Show SMILES O[C@@H](C[C@@H](Cc1cc2cnccc2s1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C40H41ClF3N5O6S/c41-27-7-5-24(6-8-27)34-10-9-29(55-34)20-48-13-14-49(32(21-48)39(53)46-23-40(42,43)44)19-28(50)15-25(16-30-17-26-18-45-12-11-36(26)56-30)38(52)47-37-31-3-1-2-4-35(31)54-22-33(37)51/h1-12,17-18,25,28,32-33,37,50-51H,13-16,19-23H2,(H,46,53)(H,47,52)/t25-,28-,32-,33+,37-/m0/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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127969 ((R)-3-[(2R,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C36H43N3O6S/c1-22-11-10-12-23(2)27(22)19-37-34(43)32-36(3,4)46-21-39(32)35(44)28(40)18-25(17-24-13-6-5-7-14-24)33(42)38-31-26-15-8-9-16-30(26)45-20-29(31)41/h5-16,25,28-29,31-32,40-41H,17-21H2,1-4H3,(H,37,43)(H,38,42)/t25-,28-,29-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9104 ((2S)-4-{[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl...) Show SMILES Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(Cc3ncc(o3)-c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r| Show InChI InChI=1S/C42H44ClF3N6O7/c1-25-12-13-47-18-32(25)36-11-10-30(58-36)17-27(40(55)50-39-31-4-2-3-5-35(31)57-23-34(39)54)16-29(53)20-52-15-14-51(21-33(52)41(56)49-24-42(44,45)46)22-38-48-19-37(59-38)26-6-8-28(43)9-7-26/h2-13,18-19,27,29,33-34,39,53-54H,14-17,20-24H2,1H3,(H,49,56)(H,50,55)/t27-,29-,33-,34+,39-/m0/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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9092 ((2S)-4-{2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]pro...) Show SMILES CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3cnccc3s2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(s1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C41H44ClF3N6O5S2/c1-40(2,39-47-19-35(58-39)24-7-9-27(42)10-8-24)51-14-13-50(31(21-51)38(55)48-23-41(43,44)45)20-28(52)15-25(16-29-17-26-18-46-12-11-34(26)57-29)37(54)49-36-30-5-3-4-6-33(30)56-22-32(36)53/h3-12,17-19,25,28,31-32,36,52-53H,13-16,20-23H2,1-2H3,(H,48,55)(H,49,54)/t25-,28-,31-,32+,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem 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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127976 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES CC1(C)SCN([C@@H]1C(=O)NCc1c(Cl)cccc1Cl)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C34H37Cl2N3O6S/c1-34(2)30(32(43)37-17-23-24(35)12-8-13-25(23)36)39(19-46-34)33(44)26(40)16-21(15-20-9-4-3-5-10-20)31(42)38-29-22-11-6-7-14-28(22)45-18-27(29)41/h3-14,21,26-27,29-30,40-41H,15-19H2,1-2H3,(H,37,43)(H,38,42)/t21-,26+,27-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127970 (3-[(1R,4S)-2-Hydroxy-4-((1S,2R)-2-hydroxy-indan-1-...) Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H43N3O5S/c1-22-11-10-12-23(2)28(22)20-37-34(43)32-36(3,4)45-21-39(32)35(44)30(41)19-26(17-24-13-6-5-7-14-24)33(42)38-31-27-16-9-8-15-25(27)18-29(31)40/h5-16,26,29-32,40-41H,17-21H2,1-4H3,(H,37,43)(H,38,42)/t26-,29-,30+,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9103 ((2S)-4-{[5-(4-chlorophenyl)thiophen-2-yl]methyl}-1...) Show SMILES Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(Cc3ccc(s3)-c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r| Show InChI InChI=1S/C43H45ClF3N5O6S/c1-26-14-15-48-20-34(26)38-12-10-31(58-38)19-28(41(55)50-40-33-4-2-3-5-37(33)57-24-36(40)54)18-30(53)21-52-17-16-51(23-35(52)42(56)49-25-43(45,46)47)22-32-11-13-39(59-32)27-6-8-29(44)9-7-27/h2-15,20,28,30,35-36,40,53-54H,16-19,21-25H2,1H3,(H,49,56)(H,50,55)/t28-,30-,35-,36+,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem 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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9096 ((2S)-4-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1-[(...) Show SMILES O[C@@H](C[C@@H](Cc1cc2ccncc2o1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C40H41ClF3N5O7/c41-27-7-5-24(6-8-27)34-10-9-29(55-34)20-48-13-14-49(32(21-48)39(53)46-23-40(42,43)44)19-28(50)15-26(17-30-16-25-11-12-45-18-36(25)56-30)38(52)47-37-31-3-1-2-4-35(31)54-22-33(37)51/h1-12,16,18,26,28,32-33,37,50-51H,13-15,17,19-23H2,(H,46,53)(H,47,52)/t26-,28-,32-,33+,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9094 ((2S)-4-{[5-(4-chlorophenyl)thiophen-2-yl]methyl}-1...) Show SMILES O[C@@H](C[C@@H](Cc1cc2cnccc2s1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(s2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C40H41ClF3N5O5S2/c41-27-7-5-24(6-8-27)35-10-9-29(55-35)20-48-13-14-49(32(21-48)39(53)46-23-40(42,43)44)19-28(50)15-25(16-30-17-26-18-45-12-11-36(26)56-30)38(52)47-37-31-3-1-2-4-34(31)54-22-33(37)51/h1-12,17-18,25,28,32-33,37,50-51H,13-16,19-23H2,(H,46,53)(H,47,52)/t25-,28-,32-,33+,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127977 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1nsc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C33H40N4O6S2/c1-19-24(20(2)45-36-19)16-34-31(41)29-33(3,4)44-18-37(29)32(42)25(38)15-22(14-21-10-6-5-7-11-21)30(40)35-28-23-12-8-9-13-27(23)43-17-26(28)39/h5-13,22,25-26,28-29,38-39H,14-18H2,1-4H3,(H,34,41)(H,35,40)/t22-,25+,26-,28+,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127970 (3-[(1R,4S)-2-Hydroxy-4-((1S,2R)-2-hydroxy-indan-1-...) Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H43N3O5S/c1-22-11-10-12-23(2)28(22)20-37-34(43)32-36(3,4)45-21-39(32)35(44)30(41)19-26(17-24-13-6-5-7-14-24)33(42)38-31-27-16-9-8-15-25(27)18-29(31)40/h5-16,26,29-32,40-41H,17-21H2,1-4H3,(H,37,43)(H,38,42)/t26-,29-,30+,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127970 (3-[(1R,4S)-2-Hydroxy-4-((1S,2R)-2-hydroxy-indan-1-...) Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H43N3O5S/c1-22-11-10-12-23(2)28(22)20-37-34(43)32-36(3,4)45-21-39(32)35(44)30(41)19-26(17-24-13-6-5-7-14-24)33(42)38-31-27-16-9-8-15-25(27)18-29(31)40/h5-16,26,29-32,40-41H,17-21H2,1-4H3,(H,37,43)(H,38,42)/t26-,29-,30+,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127972 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1noc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C33H40N4O7S/c1-19-24(20(2)44-36-19)16-34-31(41)29-33(3,4)45-18-37(29)32(42)25(38)15-22(14-21-10-6-5-7-11-21)30(40)35-28-23-12-8-9-13-27(23)43-17-26(28)39/h5-13,22,25-26,28-29,38-39H,14-18H2,1-4H3,(H,34,41)(H,35,40)/t22-,25+,26-,28+,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9095 ((2S)-1-[(2S,4S)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,...) Show SMILES O[C@@H](C[C@@H](Cc1cc2cnccc2s1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2csc(n2)-c2ccc(cc2)C(F)(F)F)C[C@H]1C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C40H40F6N6O5S2/c41-39(42,43)22-48-37(56)31-19-51(17-27-21-58-38(49-27)23-5-7-26(8-6-23)40(44,45)46)11-12-52(31)18-28(53)13-24(14-29-15-25-16-47-10-9-34(25)59-29)36(55)50-35-30-3-1-2-4-33(30)57-20-32(35)54/h1-10,15-16,21,24,28,31-32,35,53-54H,11-14,17-20,22H2,(H,48,56)(H,50,55)/t24-,28-,31-,32+,35-/m0/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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127968 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H41N3O6S/c1-22-11-7-8-14-24(22)19-36-33(42)31-35(2,3)45-21-38(31)34(43)27(39)18-25(17-23-12-5-4-6-13-23)32(41)37-30-26-15-9-10-16-29(26)44-20-28(30)40/h4-16,25,27-28,30-31,39-40H,17-21H2,1-3H3,(H,36,42)(H,37,41)/t25-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127969 ((R)-3-[(2R,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C36H43N3O6S/c1-22-11-10-12-23(2)27(22)19-37-34(43)32-36(3,4)46-21-39(32)35(44)28(40)18-25(17-24-13-6-5-7-14-24)33(42)38-31-26-15-8-9-16-30(26)45-20-29(31)41/h5-16,25,28-29,31-32,40-41H,17-21H2,1-4H3,(H,37,43)(H,38,42)/t25-,28-,29-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9101 ((2S)-4-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1-[(...) Show SMILES Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(Cc3ccc(o3)-c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r| Show InChI InChI=1S/C43H45ClF3N5O7/c1-26-14-15-48-20-34(26)39-13-10-31(58-39)19-28(41(55)50-40-33-4-2-3-5-38(33)57-24-36(40)54)18-30(53)21-52-17-16-51(23-35(52)42(56)49-25-43(45,46)47)22-32-11-12-37(59-32)27-6-8-29(44)9-7-27/h2-15,20,28,30,35-36,40,53-54H,16-19,21-25H2,1H3,(H,49,56)(H,50,55)/t28-,30-,35-,36+,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127974 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccc(Cl)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H40ClN3O6S/c1-21-10-9-14-26(36)25(21)18-37-33(43)31-35(2,3)46-20-39(31)34(44)27(40)17-23(16-22-11-5-4-6-12-22)32(42)38-30-24-13-7-8-15-29(24)45-19-28(30)41/h4-15,23,27-28,30-31,40-41H,16-20H2,1-3H3,(H,37,43)(H,38,42)/t23-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127969 ((R)-3-[(2R,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C36H43N3O6S/c1-22-11-10-12-23(2)27(22)19-37-34(43)32-36(3,4)46-21-39(32)35(44)28(40)18-25(17-24-13-6-5-7-14-24)33(42)38-31-26-15-8-9-16-30(26)45-20-29(31)41/h5-16,25,28-29,31-32,40-41H,17-21H2,1-4H3,(H,37,43)(H,38,42)/t25-,28-,29-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127974 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccc(Cl)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H40ClN3O6S/c1-21-10-9-14-26(36)25(21)18-37-33(43)31-35(2,3)46-20-39(31)34(44)27(40)17-23(16-22-11-5-4-6-12-22)32(42)38-30-24-13-7-8-15-29(24)45-19-28(30)41/h4-15,23,27-28,30-31,40-41H,16-20H2,1-3H3,(H,37,43)(H,38,42)/t23-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM9100 ((2S)-4-{[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methy...) Show SMILES Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(Cc3csc(n3)-c3ccc(F)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r| Show InChI InChI=1S/C42H44F4N6O6S/c1-25-12-13-47-18-33(25)37-11-10-31(58-37)17-27(39(55)50-38-32-4-2-3-5-36(32)57-22-35(38)54)16-30(53)20-52-15-14-51(21-34(52)40(56)48-24-42(44,45)46)19-29-23-59-41(49-29)26-6-8-28(43)9-7-26/h2-13,18,23,27,30,34-35,38,53-54H,14-17,19-22,24H2,1H3,(H,48,56)(H,50,55)/t27-,30-,34-,35+,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem 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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127977 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1nsc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C33H40N4O6S2/c1-19-24(20(2)45-36-19)16-34-31(41)29-33(3,4)44-18-37(29)32(42)25(38)15-22(14-21-10-6-5-7-11-21)30(40)35-28-23-12-8-9-13-27(23)43-17-26(28)39/h5-13,22,25-26,28-29,38-39H,14-18H2,1-4H3,(H,34,41)(H,35,40)/t22-,25+,26-,28+,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127976 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES CC1(C)SCN([C@@H]1C(=O)NCc1c(Cl)cccc1Cl)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C34H37Cl2N3O6S/c1-34(2)30(32(43)37-17-23-24(35)12-8-13-25(23)36)39(19-46-34)33(44)26(40)16-21(15-20-9-4-3-5-10-20)31(42)38-29-22-11-6-7-14-28(22)45-18-27(29)41/h3-14,21,26-27,29-30,40-41H,15-19H2,1-2H3,(H,37,43)(H,38,42)/t21-,26+,27-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127966 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccnc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C34H40N4O6S/c1-21-10-9-15-35-25(21)18-36-32(42)30-34(2,3)45-20-38(30)33(43)26(39)17-23(16-22-11-5-4-6-12-22)31(41)37-29-24-13-7-8-14-28(24)44-19-27(29)40/h4-15,23,26-27,29-30,39-40H,16-20H2,1-3H3,(H,36,42)(H,37,41)/t23-,26+,27-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127973 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1ccnc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H42N4O6S/c1-21-14-15-36-22(2)26(21)18-37-33(43)31-35(3,4)46-20-39(31)34(44)27(40)17-24(16-23-10-6-5-7-11-23)32(42)38-30-25-12-8-9-13-29(25)45-19-28(30)41/h5-15,24,27-28,30-31,40-41H,16-20H2,1-4H3,(H,37,43)(H,38,42)/t24-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127972 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1noc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C33H40N4O7S/c1-19-24(20(2)44-36-19)16-34-31(41)29-33(3,4)45-18-37(29)32(42)25(38)15-22(14-21-10-6-5-7-11-21)30(40)35-28-23-12-8-9-13-27(23)43-17-26(28)39/h5-13,22,25-26,28-29,38-39H,14-18H2,1-4H3,(H,34,41)(H,35,40)/t22-,25+,26-,28+,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127976 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES CC1(C)SCN([C@@H]1C(=O)NCc1c(Cl)cccc1Cl)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C34H37Cl2N3O6S/c1-34(2)30(32(43)37-17-23-24(35)12-8-13-25(23)36)39(19-46-34)33(44)26(40)16-21(15-20-9-4-3-5-10-20)31(42)38-29-22-11-6-7-14-28(22)45-18-27(29)41/h3-14,21,26-27,29-30,40-41H,15-19H2,1-2H3,(H,37,43)(H,38,42)/t21-,26+,27-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127967 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES CC1(C)SCN([C@@H]1C(=O)NCc1c(F)cccc1F)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C34H37F2N3O6S/c1-34(2)30(32(43)37-17-23-24(35)12-8-13-25(23)36)39(19-46-34)33(44)26(40)16-21(15-20-9-4-3-5-10-20)31(42)38-29-22-11-6-7-14-28(22)45-18-27(29)41/h3-14,21,26-27,29-30,40-41H,15-19H2,1-2H3,(H,37,43)(H,38,42)/t21-,26+,27-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127977 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1nsc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C33H40N4O6S2/c1-19-24(20(2)45-36-19)16-34-31(41)29-33(3,4)44-18-37(29)32(42)25(38)15-22(14-21-10-6-5-7-11-21)30(40)35-28-23-12-8-9-13-27(23)43-17-26(28)39/h5-13,22,25-26,28-29,38-39H,14-18H2,1-4H3,(H,34,41)(H,35,40)/t22-,25+,26-,28+,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127966 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccnc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C34H40N4O6S/c1-21-10-9-15-35-25(21)18-36-32(42)30-34(2,3)45-20-38(30)33(43)26(39)17-23(16-22-11-5-4-6-12-22)31(41)37-29-24-13-7-8-14-28(24)44-19-27(29)40/h4-15,23,26-27,29-30,39-40H,16-20H2,1-3H3,(H,36,42)(H,37,41)/t23-,26+,27-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127975 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C36H43N3O6S/c1-22-11-10-12-23(2)27(22)19-37-34(43)32-36(3,4)46-21-39(32)35(44)28(40)18-25(17-24-13-6-5-7-14-24)33(42)38-31-26-15-8-9-16-30(26)45-20-29(31)41/h5-16,25,28-29,31-32,40-41H,17-21H2,1-4H3,(H,37,43)(H,38,42)/t25-,28+,29-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127968 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H41N3O6S/c1-22-11-7-8-14-24(22)19-36-33(42)31-35(2,3)45-21-38(31)34(43)27(39)18-25(17-23-12-5-4-6-13-23)32(41)37-30-26-15-9-10-16-29(26)44-20-28(30)40/h4-16,25,27-28,30-31,39-40H,17-21H2,1-3H3,(H,36,42)(H,37,41)/t25-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.590	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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127966 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccnc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C34H40N4O6S/c1-21-10-9-15-35-25(21)18-36-32(42)30-34(2,3)45-20-38(30)33(43)26(39)17-23(16-22-11-5-4-6-12-22)31(41)37-29-24-13-7-8-14-28(24)44-19-27(29)40/h4-15,23,26-27,29-30,39-40H,16-20H2,1-3H3,(H,36,42)(H,37,41)/t23-,26+,27-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127973 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1ccnc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H42N4O6S/c1-21-14-15-36-22(2)26(21)18-37-33(43)31-35(3,4)46-20-39(31)34(44)27(40)17-24(16-23-10-6-5-7-11-23)32(42)38-30-25-12-8-9-13-29(25)45-19-28(30)41/h5-15,24,27-28,30-31,40-41H,16-20H2,1-4H3,(H,37,43)(H,38,42)/t24-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127968 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C35H41N3O6S/c1-22-11-7-8-14-24(22)19-36-33(42)31-35(2,3)45-21-38(31)34(43)27(39)18-25(17-23-12-5-4-6-13-23)32(41)37-30-26-15-9-10-16-29(26)44-20-28(30)40/h4-16,25,27-28,30-31,39-40H,17-21H2,1-3H3,(H,36,42)(H,37,41)/t25-,27+,28-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127972 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1noc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C33H40N4O7S/c1-19-24(20(2)44-36-19)16-34-31(41)29-33(3,4)45-18-37(29)32(42)25(38)15-22(14-21-10-6-5-7-11-21)30(40)35-28-23-12-8-9-13-27(23)43-17-26(28)39/h5-13,22,25-26,28-29,38-39H,14-18H2,1-4H3,(H,34,41)(H,35,40)/t22-,25+,26-,28+,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50135554 (4-{3-[(4-Nitro-pyridine-2-carbonyl)-amino]-naphtha...) Show SMILES OC(=O)c1ccc(Oc2cc3ccccc3cc2NC(=O)c2cc(ccn2)[N+]([O-])=O)cc1C(O)=O Show InChI InChI=1S/C24H15N3O8/c28-22(20-11-15(27(33)34)7-8-25-20)26-19-9-13-3-1-2-4-14(13)10-21(19)35-16-5-6-17(23(29)30)18(12-16)24(31)32/h1-12H,(H,26,28)(H,29,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HLGP(human liver glycogen phosphorylase)				Bioorg Med Chem Lett 13: 4125-8 (2003) BindingDB Entry DOI: 10.7270/Q26M367F
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50135558 (4-{3-Fluoro-2-[(4-nitro-pyridine-2-carbonyl)-amino...) Show SMILES OC(=O)c1ccc(Oc2cccc(F)c2NC(=O)c2cc(ccn2)[N+]([O-])=O)cc1C(O)=O Show InChI InChI=1S/C20H12FN3O8/c21-14-2-1-3-16(32-11-4-5-12(19(26)27)13(9-11)20(28)29)17(14)23-18(25)15-8-10(24(30)31)6-7-22-15/h1-9H,(H,23,25)(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HLGP(human liver glycogen phosphorylase)				Bioorg Med Chem Lett 13: 4125-8 (2003) BindingDB Entry DOI: 10.7270/Q26M367F
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127975 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C36H43N3O6S/c1-22-11-10-12-23(2)27(22)19-37-34(43)32-36(3,4)46-21-39(32)35(44)28(40)18-25(17-24-13-6-5-7-14-24)33(42)38-31-26-15-8-9-16-30(26)45-20-29(31)41/h5-16,25,28-29,31-32,40-41H,17-21H2,1-4H3,(H,37,43)(H,38,42)/t25-,28+,29-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV protease				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127967 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES CC1(C)SCN([C@@H]1C(=O)NCc1c(F)cccc1F)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C34H37F2N3O6S/c1-34(2)30(32(43)37-17-23-24(35)12-8-13-25(23)36)39(19-46-34)33(44)26(40)16-21(15-20-9-4-3-5-10-20)31(42)38-29-22-11-6-7-14-28(22)45-18-27(29)41/h3-14,21,26-27,29-30,40-41H,15-19H2,1-2H3,(H,37,43)(H,38,42)/t21-,26+,27-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50127975 ((R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chro...) Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12 Show InChI InChI=1S/C36H43N3O6S/c1-22-11-10-12-23(2)27(22)19-37-34(43)32-36(3,4)46-21-39(32)35(44)28(40)18-25(17-24-13-6-5-7-14-24)33(42)38-31-26-15-8-9-16-30(26)45-20-29(31)41/h5-16,25,28-29,31-32,40-41H,17-21H2,1-4H3,(H,37,43)(H,38,42)/t25-,28+,29-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV K-60C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) BindingDB Entry DOI: 10.7270/Q27S7N41
					More data for this Ligand-Target Pair
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50135565 (4-{3-[(4-Methoxy-pyridine-2-carbonyl)-amino]-napht...) Show SMILES COc1ccnc(c1)C(=O)Nc1cc2ccccc2cc1Oc1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C25H18N2O7/c1-33-16-8-9-26-21(13-16)23(28)27-20-10-14-4-2-3-5-15(14)11-22(20)34-17-6-7-18(24(29)30)19(12-17)25(31)32/h2-13H,1H3,(H,27,28)(H,29,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HLGP(human liver glycogen phosphorylase)				Bioorg Med Chem Lett 13: 4125-8 (2003) BindingDB Entry DOI: 10.7270/Q26M367F
					More data for this Ligand-Target Pair

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