Found 20 hits with Last Name = 'choi' and Initial = 'hi' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284986
(CHEMBL55197 | [(R)-1-((S)-1-{(2R,3S)-3-[((S)-2-Ben...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C37H46N4O7/c1-24(2)31(40-36(44)46-22-27-16-10-6-11-17-27)34(42)38-21-30-33(48-30)29(20-26-14-8-5-9-15-26)39-35(43)32(25(3)4)41-37(45)47-23-28-18-12-7-13-19-28/h5-19,24-25,29-33H,20-23H2,1-4H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45)/t29-,30-,31-,32+,33+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition activity against HIV-1 protease |
Bioorg Med Chem Lett 5: 1843-1848 (1995)
Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50290520
(((R)-1-{(S)-1-[(2R,3S)-3-(2-tert-Butylsulfamoyl-et...)Show SMILES CC(C)(C)NS(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O Show InChI InChI=1S/C30H43N3O8S2/c1-29(2,3)33-43(38,39)18-17-24-25(41-24)23(19-21-13-9-7-10-14-21)31-27(34)26(30(4,5)42(6,36)37)32-28(35)40-20-22-15-11-8-12-16-22/h7-16,23-26,33H,17-20H2,1-6H3,(H,31,34)(H,32,35)/t23-,24-,25+,26+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 7: 2635-2638 (1997)
Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50290527
(CHEMBL86971 | [(R)-1-((S)-1-{(2R,3S)-3-[2-(Ethyl-i...)Show SMILES CCN(C(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O Show InChI InChI=1S/C31H45N3O8S2/c1-7-34(22(2)3)44(39,40)19-18-26-27(42-26)25(20-23-14-10-8-11-15-23)32-29(35)28(31(4,5)43(6,37)38)33-30(36)41-21-24-16-12-9-13-17-24/h8-17,22,25-28H,7,18-21H2,1-6H3,(H,32,35)(H,33,36)/t25-,26-,27+,28+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 7: 2635-2638 (1997)
Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50009242
(CHEMBL48565 | {(S)-1-[(1S,2S,3R,4S)-1-Benzyl-4-((S...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38-,39-,40+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition activity against HIV-1 protease |
Bioorg Med Chem Lett 5: 1843-1848 (1995)
Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM197
((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r| Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39+,40+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition activity against HIV-1 protease |
Bioorg Med Chem Lett 5: 1843-1848 (1995)
Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50290525
(CHEMBL92097 | [(R)-1-((S)-1-{(2R,3S)-3-[2-(Ethyl-i...)Show SMILES CCN(CC(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O Show InChI InChI=1S/C32H47N3O8S2/c1-7-35(21-23(2)3)45(40,41)19-18-27-28(43-27)26(20-24-14-10-8-11-15-24)33-30(36)29(32(4,5)44(6,38)39)34-31(37)42-22-25-16-12-9-13-17-25/h8-17,23,26-29H,7,18-22H2,1-6H3,(H,33,36)(H,34,37)/t26-,27-,28+,29+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 7: 2635-2638 (1997)
Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50290523
(CHEMBL327222 | Thiophene-2-carboxylic acid [(R)-1-...)Show SMILES CCN(C(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cccs1)C(C)(C)S(C)(=O)=O Show InChI InChI=1S/C28H41N3O7S3/c1-7-31(19(2)3)41(36,37)17-15-22-24(38-22)21(18-20-12-9-8-10-13-20)29-27(33)25(28(4,5)40(6,34)35)30-26(32)23-14-11-16-39-23/h8-14,16,19,21-22,24-25H,7,15,17-18H2,1-6H3,(H,29,33)(H,30,32)/t21-,22-,24+,25+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 7: 2635-2638 (1997)
Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50290524
(CHEMBL404933 | [(R)-1-((S)-1-{(2R,3S)-3-[2-(Benzoy...)Show SMILES CC(C)N(C(=O)c1ccccc1)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O Show InChI InChI=1S/C36H45N3O9S2/c1-25(2)39(34(41)28-19-13-8-14-20-28)50(45,46)22-21-30-31(48-30)29(23-26-15-9-6-10-16-26)37-33(40)32(36(3,4)49(5,43)44)38-35(42)47-24-27-17-11-7-12-18-27/h6-20,25,29-32H,21-24H2,1-5H3,(H,37,40)(H,38,42)/t29-,30-,31+,32+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 7: 2635-2638 (1997)
Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284988
(CHEMBL52809 | [(S)-1-(1-{(2S,3R)-3-[(S)-1-((R)-2-B...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C38H48N4O7/c1-24(2)31(41-37(45)47-22-28-17-11-7-12-18-28)35(43)39-26(5)33-34(49-33)30(21-27-15-9-6-10-16-27)40-36(44)32(25(3)4)42-38(46)48-23-29-19-13-8-14-20-29/h6-20,24-26,30-34H,21-23H2,1-5H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)/t26?,30-,31-,32+,33-,34+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition activity against HIV-1 protease |
Bioorg Med Chem Lett 5: 1843-1848 (1995)
Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50290526
(CHEMBL328036 | [(R)-1-((S)-1-{(2R,3S)-3-[2-(Ethyl-...)Show SMILES CCN(c1ccccc1)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O Show InChI InChI=1S/C34H43N3O8S2/c1-5-37(27-19-13-8-14-20-27)47(42,43)22-21-29-30(45-29)28(23-25-15-9-6-10-16-25)35-32(38)31(34(2,3)46(4,40)41)36-33(39)44-24-26-17-11-7-12-18-26/h6-20,28-31H,5,21-24H2,1-4H3,(H,35,38)(H,36,39)/t28-,29-,30+,31+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 7: 2635-2638 (1997)
Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50290522
(CHEMBL313237 | Quinoline-2-carboxylic acid [(R)-1-...)Show SMILES CCN(c1ccccc1)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O Show InChI InChI=1S/C36H42N4O7S2/c1-5-40(27-17-10-7-11-18-27)49(45,46)23-22-31-32(47-31)30(24-25-14-8-6-9-15-25)38-35(42)33(36(2,3)48(4,43)44)39-34(41)29-21-20-26-16-12-13-19-28(26)37-29/h6-21,30-33H,5,22-24H2,1-4H3,(H,38,42)(H,39,41)/t30-,31-,32+,33+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 7: 2635-2638 (1997)
Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50290521
(CHEMBL89076 | Quinoline-2-carboxylic acid [(R)-1-(...)Show SMILES CCN(C(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O Show InChI InChI=1S/C33H44N4O7S2/c1-7-37(22(2)3)46(42,43)20-19-28-29(44-28)27(21-23-13-9-8-10-14-23)35-32(39)30(33(4,5)45(6,40)41)36-31(38)26-18-17-24-15-11-12-16-25(24)34-26/h8-18,22,27-30H,7,19-21H2,1-6H3,(H,35,39)(H,36,38)/t27-,28-,29+,30+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 7: 2635-2638 (1997)
Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284989
(CHEMBL300705 | {(R)-2-Methyl-1-[(S)-1-((2R,3S)-3-{...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccn1)C(C)C Show InChI InChI=1S/C35H44N6O7/c1-22(2)29(40-34(44)46-20-25-14-8-10-16-36-25)32(42)38-19-28-31(48-28)27(18-24-12-6-5-7-13-24)39-33(43)30(23(3)4)41-35(45)47-21-26-15-9-11-17-37-26/h5-17,22-23,27-31H,18-21H2,1-4H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45)/t27-,28-,29-,30+,31+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition activity against HIV-1 protease |
Bioorg Med Chem Lett 5: 1843-1848 (1995)
Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50290528
(CHEMBL261900 | N*1*-{(S)-1-[(2R,3S)-3-(2-tert-Buty...)Show SMILES CC(C)(C)NS(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C30H37N5O6S/c1-30(2,3)35-42(39,40)16-15-25-27(41-25)23(17-19-9-5-4-6-10-19)33-29(38)24(18-26(31)36)34-28(37)22-14-13-20-11-7-8-12-21(20)32-22/h4-14,23-25,27,35H,15-18H2,1-3H3,(H2,31,36)(H,33,38)(H,34,37)/t23-,24?,25-,27+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 7: 2635-2638 (1997)
Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84 |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284984
((R)-3-Methyl-N-[(S)-1-((2R,3S)-3-{[(S)-3-methyl-2-...)Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)N(C)Cc1ccccn1)C(C)C Show InChI InChI=1S/C37H50N8O5/c1-24(2)31(42-36(48)44(5)22-27-16-10-12-18-38-27)34(46)40-21-30-33(50-30)29(20-26-14-8-7-9-15-26)41-35(47)32(25(3)4)43-37(49)45(6)23-28-17-11-13-19-39-28/h7-19,24-25,29-33H,20-23H2,1-6H3,(H,40,46)(H,41,47)(H,42,48)(H,43,49)/t29-,30-,31-,32+,33+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition activity against HIV-1 protease |
Bioorg Med Chem Lett 5: 1843-1848 (1995)
Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284987
(CHEMBL293061 | {(R)-2-Methyl-1-[(S)-1-((2R,3S)-3-{...)Show SMILES CC(C)[C@H](NC(=O)OCc1cccnc1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1cccnc1)C(C)C Show InChI InChI=1S/C35H44N6O7/c1-22(2)29(40-34(44)46-20-25-12-8-14-36-17-25)32(42)38-19-28-31(48-28)27(16-24-10-6-5-7-11-24)39-33(43)30(23(3)4)41-35(45)47-21-26-13-9-15-37-18-26/h5-15,17-18,22-23,27-31H,16,19-21H2,1-4H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45)/t27-,28-,29-,30+,31+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition activity against HIV-1 protease |
Bioorg Med Chem Lett 5: 1843-1848 (1995)
Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284991
(CHEMBL295499 | [(S)-1-((S)-1-{3-[(S)-1-((S)-2-Benz...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C1OC1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H52N4O7/c1-29(2)37(47-43(51)53-27-33-21-13-7-14-22-33)41(49)45-35(25-31-17-9-5-10-18-31)39-40(55-39)36(26-32-19-11-6-12-20-32)46-42(50)38(30(3)4)48-44(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-40H,25-28H2,1-4H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)/t35-,36-,37-,38-,39?,40?/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition activity against HIV-1 protease |
Bioorg Med Chem Lett 5: 1843-1848 (1995)
Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284990
(CHEMBL54394 | {(R)-2-Methyl-1-[(S)-1-((2R,3S)-3-{[...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccncc1)C(=O)NC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccncc1)C(C)C Show InChI InChI=1S/C35H44N6O7/c1-22(2)29(40-34(44)46-20-25-10-14-36-15-11-25)32(42)38-19-28-31(48-28)27(18-24-8-6-5-7-9-24)39-33(43)30(23(3)4)41-35(45)47-21-26-12-16-37-17-13-26/h5-17,22-23,27-31H,18-21H2,1-4H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45)/t27-,28-,29-,30+,31+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition activity against HIV-1 protease |
Bioorg Med Chem Lett 5: 1843-1848 (1995)
Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J |
More data for this Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50284985
(1,2-Epoxy-3-(4'-nitrophenoxy)propane | 1,2-Epoxy-3...)Show InChI InChI=1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
| Article
| 1.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition activity against HIV-1 protease |
Bioorg Med Chem Lett 5: 1843-1848 (1995)
Article DOI: 10.1016/0960-894X(95)00306-E BindingDB Entry DOI: 10.7270/Q2KW5G0J |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50290521
(CHEMBL89076 | Quinoline-2-carboxylic acid [(R)-1-(...)Show SMILES CCN(C(C)C)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O Show InChI InChI=1S/C33H44N4O7S2/c1-7-37(22(2)3)46(42,43)20-19-28-29(44-28)27(21-23-13-9-8-10-14-23)35-32(39)30(33(4,5)45(6,40)41)36-31(38)26-18-17-24-15-11-12-16-25(24)34-26/h8-18,22,27-30H,7,19-21H2,1-6H3,(H,35,39)(H,36,38)/t27-,28-,29+,30+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition against human cathepsin D was determined |
Bioorg Med Chem Lett 7: 2635-2638 (1997)
Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84 |
More data for this Ligand-Target Pair | |