Found 252 hits with Last Name = 'tomasselli' and Initial = 'a' 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) | BDBM50212827
(CHEMBL3350189)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50212827
(CHEMBL3350189)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50212827
(CHEMBL3350189)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for aspartyl protease inhibition selectivity relative to renin |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50281636
((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin D |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50229416
(CHEMBL3350192)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H59N7O7/c1-5-27(4)36(41(54)44-23-29-16-12-13-19-43-29)48-40(53)35(26(2)3)38(51)37(50)32(20-28-14-8-6-9-15-28)47-39(52)33(21-30-22-42-25-45-30)46-34(49)24-55-31-17-10-7-11-18-31/h7,10-13,16-19,22,25-28,32-33,35-38,50-51H,5-6,8-9,14-15,20-21,23-24H2,1-4H3,(H,42,45)(H,44,54)(H,46,49)(H,47,52)(H,48,53)/t27-,32-,33-,35+,36-,37+,38+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50281638
((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-5-{(S)-3-(1H-imi...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O6/c1-5-30(4)42(45(57)48-26-33-18-11-12-21-47-33)52-43(55)36(29(2)3)24-39(53)37(22-31-14-7-6-8-15-31)51-44(56)38(23-34-25-46-28-49-34)50-41(54)27-58-40-20-13-17-32-16-9-10-19-35(32)40/h9-13,16-21,25,28-31,36-39,42,53H,5-8,14-15,22-24,26-27H2,1-4H3,(H,46,49)(H,48,57)(H,50,54)(H,51,56)(H,52,55)/t30?,36-,37-,38-,39-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for aspartyl protease inhibition selectivity relative to renin |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Cathepsin E
(Homo sapiens (Human)) | BDBM50281636
((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin E |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50229415
(CHEMBL3350190)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CO)C(=O)NCc1ccccn1 Show InChI InChI=1S/C35H55N7O7/c1-5-22(4)30(35(49)38-18-24-13-9-10-14-37-24)42-34(48)29(21(2)3)32(46)31(45)26(15-23-11-7-6-8-12-23)41-33(47)27(40-28(44)19-43)16-25-17-36-20-39-25/h9-10,13-14,17,20-23,26-27,29-32,43,45-46H,5-8,11-12,15-16,18-19H2,1-4H3,(H,36,39)(H,38,49)(H,40,44)(H,41,47)(H,42,48)/t22-,26-,27-,29+,30-,31+,32+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50046938
(CHEMBL366392 | N-(4-{1-[(1H-Benzoimidazol-2-ylmeth...)Show SMILES CCC(C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCOCCOc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C40H59N5O7/c1-5-27(4)36(40(50)41-25-33-42-30-18-12-13-19-31(30)43-33)45-39(49)35(26(2)3)38(48)37(47)32(24-28-14-8-6-9-15-28)44-34(46)20-21-51-22-23-52-29-16-10-7-11-17-29/h7,10-13,16-19,26-28,32,35-38,47-48H,5-6,8-9,14-15,20-25H2,1-4H3,(H,41,50)(H,42,43)(H,44,46)(H,45,49)/t27?,32-,35+,36-,37+,38+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease in vitro. |
J Med Chem 36: 941-52 (1993)
BindingDB Entry DOI: 10.7270/Q2VX0H54 |
More data for this
Ligand-Target Pair | |
Dimer of Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1943
(Carboxamide-Containing 4-Hydroxy-2-pyrone analogue...)Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)c(=O)o1 |r| Show InChI InChI=1S/C36H42N4O6/c1-5-23(16-22-10-7-6-8-11-22)30-19-29(41)32(34(43)45-30)31(24-14-15-24)25-12-9-13-26(17-25)39-33(42)28(18-27-20-37-21-38-27)40-35(44)46-36(2,3)4/h6-13,17,19-21,23-24,28,31,41H,5,14-16,18H2,1-4H3,(H,37,38)(H,39,42)(H,40,44)/t23?,28-,31?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | -47.5 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn
| Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... |
J Med Chem 38: 3624-37 (1995)
Article DOI: 10.1021/jm00018a023
BindingDB Entry DOI: 10.7270/Q22B8W65 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281641
((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C43H60N6O7/c1-5-28(4)40(43(55)46-25-31-18-11-12-21-45-31)49-41(53)33(27(2)3)23-36(50)34(22-29-14-7-6-8-15-29)48-42(54)35(24-38(44)51)47-39(52)26-56-37-20-13-17-30-16-9-10-19-32(30)37/h9-13,16-21,27-29,33-36,40,50H,5-8,14-15,22-26H2,1-4H3,(H2,44,51)(H,46,55)(H,47,52)(H,48,54)(H,49,53)/t28?,33-,34-,35-,36-,40-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50368288
(CHEMBL1790564 | CHEMBL3350194)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C38H55N7O7/c1-7-25(6)33(38(51)41-20-26-13-11-12-16-40-26)45-37(50)32(24(4)5)35(48)34(47)29(17-23(2)3)44-36(49)30(18-27-19-39-22-42-27)43-31(46)21-52-28-14-9-8-10-15-28/h8-16,19,22-25,29-30,32-35,47-48H,7,17-18,20-21H2,1-6H3,(H,39,42)(H,41,51)(H,43,46)(H,44,49)(H,45,50)/t25-,29+,30+,32-,33+,34-,35-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281638
((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-5-{(S)-3-(1H-imi...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O6/c1-5-30(4)42(45(57)48-26-33-18-11-12-21-47-33)52-43(55)36(29(2)3)24-39(53)37(22-31-14-7-6-8-15-31)51-44(56)38(23-34-25-46-28-49-34)50-41(54)27-58-40-20-13-17-32-16-9-10-19-35(32)40/h9-13,16-21,25,28-31,36-39,42,53H,5-8,14-15,22-24,26-27H2,1-4H3,(H,46,49)(H,48,57)(H,50,54)(H,51,56)(H,52,55)/t30?,36-,37-,38-,39-,42-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50000794
(CHEMBL299376)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C46H63N7O7/c1-5-30(4)41(46(59)49-26-33-18-11-12-21-48-33)53-44(57)36(22-29(2)3)42(55)43(56)37(23-31-14-7-6-8-15-31)52-45(58)38(24-34-25-47-28-50-34)51-40(54)27-60-39-20-13-17-32-16-9-10-19-35(32)39/h9-13,16-21,25,28-31,36-38,41-43,55-56H,5-8,14-15,22-24,26-27H2,1-4H3,(H,47,50)(H,49,59)(H,51,54)(H,52,58)(H,53,57)/t30-,36+,37-,38-,41-,42+,43+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50046932
(CHEMBL173255 | N-(4-{1-[(1H-Benzoimidazol-2-ylmeth...)Show SMILES CCC(C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)C(CC1CCCCC1)NC(=O)c1ccccc1OCSc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C43H57N5O6S/c1-5-28(4)38(43(53)44-25-36-45-32-21-13-14-22-33(32)46-36)48-42(52)37(27(2)3)40(50)39(49)34(24-29-16-8-6-9-17-29)47-41(51)31-20-12-15-23-35(31)54-26-55-30-18-10-7-11-19-30/h7,10-15,18-23,27-29,34,37-40,49-50H,5-6,8-9,16-17,24-26H2,1-4H3,(H,44,53)(H,45,46)(H,47,51)(H,48,52)/t28?,34?,37-,38+,39-,40-/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease in vitro. |
J Med Chem 36: 941-52 (1993)
BindingDB Entry DOI: 10.7270/Q2VX0H54 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50000696
(CHEMBL301833)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C42H57N7O7/c1-7-27(6)37(42(55)45-22-29-15-10-11-18-44-29)49-41(54)36(26(4)5)39(52)38(51)32(19-25(2)3)48-40(53)33(20-30-21-43-24-46-30)47-35(50)23-56-34-17-12-14-28-13-8-9-16-31(28)34/h8-18,21,24-27,32-33,36-39,51-52H,7,19-20,22-23H2,1-6H3,(H,43,46)(H,45,55)(H,47,50)(H,48,53)(H,49,54)/t27-,32-,33-,36+,37-,38+,39+/m0/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50046922
(CHEMBL428804 | N-(4-{1-[(1H-Benzoimidazol-2-ylmeth...)Show SMILES CCC(C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1OCCOCCOC)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H61N5O8/c1-6-27(4)36(41(51)42-25-34-43-30-17-11-12-18-31(30)44-34)46-40(50)35(26(2)3)38(48)37(47)32(24-28-14-8-7-9-15-28)45-39(49)29-16-10-13-19-33(29)54-23-22-53-21-20-52-5/h10-13,16-19,26-28,32,35-38,47-48H,6-9,14-15,20-25H2,1-5H3,(H,42,51)(H,43,44)(H,45,49)(H,46,50)/t27?,32-,35+,36-,37+,38+/m0/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease in vitro. |
J Med Chem 36: 941-52 (1993)
BindingDB Entry DOI: 10.7270/Q2VX0H54 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50000758
(CHEMBL48770)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C43H59N7O7/c1-7-28(6)38(43(56)46-23-30-15-10-11-18-45-30)50-41(54)33(19-26(2)3)39(52)40(53)34(20-27(4)5)49-42(55)35(21-31-22-44-25-47-31)48-37(51)24-57-36-17-12-14-29-13-8-9-16-32(29)36/h8-18,22,25-28,33-35,38-40,52-53H,7,19-21,23-24H2,1-6H3,(H,44,47)(H,46,56)(H,48,51)(H,49,55)(H,50,54)/t28-,33+,34-,35-,38-,39+,40+/m0/s1 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281651
((2S,4S,5S)-5-Acetylamino-6-cyclohexyl-4-hydroxy-2-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C29H48N4O4/c1-6-20(4)27(29(37)31-18-23-14-10-11-15-30-23)33-28(36)24(19(2)3)17-26(35)25(32-21(5)34)16-22-12-8-7-9-13-22/h10-11,14-15,19-20,22,24-27,35H,6-9,12-13,16-18H2,1-5H3,(H,31,37)(H,32,34)(H,33,36)/t20-,24-,25-,26-,27-/m0/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50046940
(CHEMBL176353 | N-(4-{1-[(1H-Benzoimidazol-2-ylmeth...)Show SMILES CCC(C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1OCCOc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C44H59N5O7/c1-5-29(4)39(44(54)45-27-37-46-33-21-13-14-22-34(33)47-37)49-43(53)38(28(2)3)41(51)40(50)35(26-30-16-8-6-9-17-30)48-42(52)32-20-12-15-23-36(32)56-25-24-55-31-18-10-7-11-19-31/h7,10-15,18-23,28-30,35,38-41,50-51H,5-6,8-9,16-17,24-27H2,1-4H3,(H,45,54)(H,46,47)(H,48,52)(H,49,53)/t29?,35-,38+,39-,40+,41+/m0/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease in vitro. |
J Med Chem 36: 941-52 (1993)
BindingDB Entry DOI: 10.7270/Q2VX0H54 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281642
(((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-5-methyl-...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C32H54N4O5/c1-8-22(4)28(30(39)34-20-24-16-12-13-17-33-24)36-29(38)25(21(2)3)19-27(37)26(18-23-14-10-9-11-15-23)35-31(40)41-32(5,6)7/h12-13,16-17,21-23,25-28,37H,8-11,14-15,18-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,38)/t22?,25-,26-,27-,28-/m0/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281640
(CHEMBL433729 | Pyridine-2-carboxylic acid ((1S,2S,...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccn1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C33H49N5O4/c1-5-23(4)30(33(42)36-21-25-15-9-11-17-34-25)38-31(40)26(22(2)3)20-29(39)28(19-24-13-7-6-8-14-24)37-32(41)27-16-10-12-18-35-27/h9-12,15-18,22-24,26,28-30,39H,5-8,13-14,19-21H2,1-4H3,(H,36,42)(H,37,41)(H,38,40)/t23?,26-,28-,29-,30-/m0/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281636
((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50046941
(CHEMBL175393 | N-(4-{1-[(1H-Benzoimidazol-2-ylmeth...)Show SMILES CCC(C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)C(CC1CCCCC1)NC(=O)c1ccccc1OCCOCCOCCOC)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C43H65N5O9/c1-6-29(4)38(43(53)44-27-36-45-32-17-11-12-18-33(32)46-36)48-42(52)37(28(2)3)40(50)39(49)34(26-30-14-8-7-9-15-30)47-41(51)31-16-10-13-19-35(31)57-25-24-56-23-22-55-21-20-54-5/h10-13,16-19,28-30,34,37-40,49-50H,6-9,14-15,20-27H2,1-5H3,(H,44,53)(H,45,46)(H,47,51)(H,48,52)/t29?,34?,37-,38+,39-,40-/m1/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease in vitro. |
J Med Chem 36: 941-52 (1993)
BindingDB Entry DOI: 10.7270/Q2VX0H54 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281648
(CHEMBL166640 | [(S)-1-((1S,2S,4S)-1-Cyclohexylmeth...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C38H61N7O6/c1-8-25(4)33(36(49)41-22-27-16-12-13-17-40-27)45-34(47)29(24(2)3)20-32(46)30(18-26-14-10-9-11-15-26)43-35(48)31(19-28-21-39-23-42-28)44-37(50)51-38(5,6)7/h12-13,16-17,21,23-26,29-33,46H,8-11,14-15,18-20,22H2,1-7H3,(H,39,42)(H,41,49)(H,43,48)(H,44,50)(H,45,47)/t25?,29-,30-,31-,32-,33-/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50229414
(CHEMBL3350191)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)NCc1ccccn1 Show InChI InChI=1S/C35H56N8O6/c1-5-22(4)30(35(49)39-19-24-13-9-10-14-38-24)43-34(48)29(21(2)3)32(46)31(45)26(15-23-11-7-6-8-12-23)42-33(47)27(41-28(44)17-36)16-25-18-37-20-40-25/h9-10,13-14,18,20-23,26-27,29-32,45-46H,5-8,11-12,15-17,19,36H2,1-4H3,(H,37,40)(H,39,49)(H,41,44)(H,42,47)(H,43,48)/t22-,26-,27-,29+,30-,31+,32+/m0/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50229413
(CHEMBL3350218)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C49H55N7O7/c1-3-32(2)44(49(62)52-29-36-21-12-13-24-51-36)56-47(60)39(25-33-15-6-4-7-16-33)45(58)46(59)40(26-34-17-8-5-9-18-34)55-48(61)41(27-37-28-50-31-53-37)54-43(57)30-63-42-23-14-20-35-19-10-11-22-38(35)42/h4-24,28,31-32,39-41,44-46,58-59H,3,25-27,29-30H2,1-2H3,(H,50,53)(H,52,62)(H,54,57)(H,55,61)(H,56,60)/t32-,39-,40-,41-,44-,45+,46+/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50281636
((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for aspartyl protease inhibition selectivity relative to pepsin |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281644
(CHEMBL355867 | N*1*-[(1S,2S,4S)-1-Cyclohexylmethyl...)Show SMILES CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NCC(C)(C)C Show InChI InChI=1S/C34H51N5O5/c1-21(2)24(31(42)36-20-34(3,4)5)18-29(40)27(17-22-11-7-6-8-12-22)38-33(44)28(19-30(35)41)39-32(43)26-16-15-23-13-9-10-14-25(23)37-26/h9-10,13-16,21-22,24,27-29,40H,6-8,11-12,17-20H2,1-5H3,(H2,35,41)(H,36,42)(H,38,44)(H,39,43)/t24-,27-,28?,29-/m0/s1 | PDB
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DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Dimer of Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1941
(Carboxamide-Containing 4-Hydroxy-2-pyrone analogue...)Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c2)c(=O)o1 |r| Show InChI InChI=1S/C33H40N2O6/c1-6-22(17-21-11-8-7-9-12-21)27-19-26(36)29(31(38)40-27)28(23-15-16-23)24-13-10-14-25(18-24)35-30(37)20(2)34-32(39)41-33(3,4)5/h7-14,18-20,22-23,28,36H,6,15-17H2,1-5H3,(H,34,39)(H,35,37)/t20-,22?,28?/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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PubMed
| 15 | -44.2 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn
| Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... |
J Med Chem 38: 3624-37 (1995)
Article DOI: 10.1021/jm00018a023
BindingDB Entry DOI: 10.7270/Q22B8W65 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50046920
(CHEMBL172927 | N-(4-{1-[(1H-Benzoimidazol-2-ylmeth...)Show SMILES CC(C)[C@H]([C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1)C(=O)N[C@@H]1C(O)Cc2ccccc12 Show InChI InChI=1S/C31H42N2O5/c1-19(2)26(31(38)33-27-23-16-10-9-15-22(23)18-25(27)34)29(36)28(35)24(17-20-11-5-3-6-12-20)32-30(37)21-13-7-4-8-14-21/h4,7-10,13-16,19-20,24-29,34-36H,3,5-6,11-12,17-18H2,1-2H3,(H,32,37)(H,33,38)/t24-,25?,26+,27-,28+,29+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease in vitro. |
J Med Chem 36: 941-52 (1993)
BindingDB Entry DOI: 10.7270/Q2VX0H54 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281643
((2S,4S,5S)-5-Acetylamino-6-cyclohexyl-4-hydroxy-2-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1cccc[n+]1[O-] Show InChI InChI=1S/C29H48N4O5/c1-6-20(4)27(29(37)30-18-23-14-10-11-15-33(23)38)32-28(36)24(19(2)3)17-26(35)25(31-21(5)34)16-22-12-8-7-9-13-22/h10-11,14-15,19-20,22,24-27,35H,6-9,12-13,16-18H2,1-5H3,(H,30,37)(H,31,34)(H,32,36)/t20-,24-,25-,26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Dimer of Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1942
(Carboxamide-Containing 4-Hydroxy-2-pyrone analogue...)Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)[C@H](Cc3cn(cn3)S(=O)(=O)c3ccc(C)cc3)NC(=O)OC(C)(C)C)c2)c(=O)o1 |r| Show InChI InChI=1S/C43H48N4O8S/c1-6-29(21-28-11-8-7-9-12-28)37-24-36(48)39(41(50)54-37)38(30-17-18-30)31-13-10-14-32(22-31)45-40(49)35(46-42(51)55-43(3,4)5)23-33-25-47(26-44-33)56(52,53)34-19-15-27(2)16-20-34/h7-16,19-20,22,24-26,29-30,35,38,48H,6,17-18,21,23H2,1-5H3,(H,45,49)(H,46,51)/t29?,35-,38?/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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Similars
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PubMed
| 19 | -43.6 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn
| Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... |
J Med Chem 38: 3624-37 (1995)
Article DOI: 10.1021/jm00018a023
BindingDB Entry DOI: 10.7270/Q22B8W65 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50453058
(CHEMBL3085447)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC1CCCCC1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C35H58N4O5/c1-5-24(4)31(35(44)37-22-27-18-12-13-19-36-27)39-34(43)30(23(2)3)33(42)32(41)28(20-25-14-8-6-9-15-25)38-29(40)21-26-16-10-7-11-17-26/h12-13,18-19,23-26,28,30-33,41-42H,5-11,14-17,20-22H2,1-4H3,(H,37,44)(H,38,40)(H,39,43)/t24-,28-,30+,31-,32+,33+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50368830
(CHEMBL1790518)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C34H56N4O5/c1-5-23(4)29(34(43)36-21-26-18-12-13-19-35-26)38-33(42)28(22(2)3)31(40)30(39)27(20-24-14-8-6-9-15-24)37-32(41)25-16-10-7-11-17-25/h12-13,18-19,22-25,27-31,39-40H,5-11,14-17,20-21H2,1-4H3,(H,36,43)(H,37,41)(H,38,42)/t23-,27-,28+,29-,30+,31+/m0/s1 | PDB
MMDB
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DrugBank
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| CHEMBL
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease in vitro. |
J Med Chem 36: 941-52 (1993)
BindingDB Entry DOI: 10.7270/Q2VX0H54 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50000732
(CHEMBL432309)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C49H67N7O7/c1-3-32(2)44(49(62)52-29-36-21-12-13-24-51-36)56-47(60)39(25-33-15-6-4-7-16-33)45(58)46(59)40(26-34-17-8-5-9-18-34)55-48(61)41(27-37-28-50-31-53-37)54-43(57)30-63-42-23-14-20-35-19-10-11-22-38(35)42/h10-14,19-24,28,31-34,39-41,44-46,58-59H,3-9,15-18,25-27,29-30H2,1-2H3,(H,50,53)(H,52,62)(H,54,57)(H,55,61)(H,56,60)/t32-,39+,40-,41-,44-,45+,46+/m0/s1 | PDB
MMDB
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DrugBank
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Dimer of Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1935
(Carboxamide-Containing 4-Hydroxycoumarin analogue ...)Show SMILES COc1ccc2c(O)c(C(C3CC3)c3cccc(NC(=O)CCNC(=O)OC(C)(C)C)c3)c(=O)oc2c1 Show InChI InChI=1S/C28H32N2O7/c1-28(2,3)37-27(34)29-13-12-22(31)30-18-7-5-6-17(14-18)23(16-8-9-16)24-25(32)20-11-10-19(35-4)15-21(20)36-26(24)33/h5-7,10-11,14-16,23,32H,8-9,12-13H2,1-4H3,(H,29,34)(H,30,31) | PDB
UniProtKB/SwissProt
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| PC cid
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Similars
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PubMed
| 28 | -42.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn
| Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... |
J Med Chem 38: 3624-37 (1995)
Article DOI: 10.1021/jm00018a023
BindingDB Entry DOI: 10.7270/Q22B8W65 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50368283
(CHEMBL1790565 | CHEMBL3350195)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C44H66N8O8/c1-10-28(6)36(42(58)47-24-30-18-14-15-19-46-30)52-41(57)35(27(4)5)38(54)37(53)32(20-26(2)3)49-40(56)34(22-31-23-45-25-48-31)50-39(55)33(21-29-16-12-11-13-17-29)51-43(59)60-44(7,8)9/h11-19,23,25-28,32-38,53-54H,10,20-22,24H2,1-9H3,(H,45,48)(H,47,58)(H,49,56)(H,50,55)(H,51,59)(H,52,57)/t28-,32+,33-,34+,35-,36+,37-,38-/m1/s1 | PDB
MMDB
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DrugBank
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 protease |
J Med Chem 34: 2344-56 (1991)
BindingDB Entry DOI: 10.7270/Q20P10ND |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281652
((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-{(...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C46H63N7O6/c1-6-31(4)43(46(58)48-26-34-19-12-13-22-47-34)52-44(56)37(30(2)3)25-40(54)38(23-32-15-8-7-9-16-32)51-45(57)39(24-35-27-53(5)29-49-35)50-42(55)28-59-41-21-14-18-33-17-10-11-20-36(33)41/h10-14,17-22,27,29-32,37-40,43,54H,6-9,15-16,23-26,28H2,1-5H3,(H,48,58)(H,50,55)(H,51,57)(H,52,56)/t31?,37-,38-,39-,40-,43-/m0/s1 | PDB
MMDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50212827
(CHEMBL3350189)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
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| Article
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the inhibition of HIV-2 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50368829
(CHEMBL1790517)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C36H51N5O5/c1-5-23(4)31(36(46)37-21-29-38-26-18-12-13-19-27(26)39-29)41-35(45)30(22(2)3)33(43)32(42)28(20-24-14-8-6-9-15-24)40-34(44)25-16-10-7-11-17-25/h7,10-13,16-19,22-24,28,30-33,42-43H,5-6,8-9,14-15,20-21H2,1-4H3,(H,37,46)(H,38,39)(H,40,44)(H,41,45)/t23-,28-,30+,31-,32+,33+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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PC sid
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Similars
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease in vitro. |
J Med Chem 36: 941-52 (1993)
BindingDB Entry DOI: 10.7270/Q2VX0H54 |
More data for this
Ligand-Target Pair | |
Dimer of Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1939
(Carboxamide-Containing 4-Hydroxy-2-pyrone analogue...)Show SMILES CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](C2CC2)c2cccc(NC(=O)CCNC(=O)OC(C)(C)C)c2)c(=O)o1 |r| Show InChI InChI=1S/C33H40N2O6/c1-5-22(18-21-10-7-6-8-11-21)27-20-26(36)30(31(38)40-27)29(23-14-15-23)24-12-9-13-25(19-24)35-28(37)16-17-34-32(39)41-33(2,3)4/h6-13,19-20,22-23,29,36H,5,14-18H2,1-4H3,(H,34,39)(H,35,37)/t22-,29+/m1/s1 | PDB
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| PDB
Article
PubMed
| 41 | -41.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn
| Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... |
J Med Chem 38: 3624-37 (1995)
Article DOI: 10.1021/jm00018a023
BindingDB Entry DOI: 10.7270/Q22B8W65 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dimer of Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM1940
(Carboxamide-Containing 4-Hydroxy-2-pyrone analogue...)Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)Cc3ccncc3)c2)c(=O)o1 Show InChI InChI=1S/C32H32N2O4/c1-2-23(17-21-7-4-3-5-8-21)28-20-27(35)31(32(37)38-28)30(24-11-12-24)25-9-6-10-26(19-25)34-29(36)18-22-13-15-33-16-14-22/h3-10,13-16,19-20,23-24,30,35H,2,11-12,17-18H2,1H3,(H,34,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 44 | -41.6 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Upjohn
| Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... |
J Med Chem 38: 3624-37 (1995)
Article DOI: 10.1021/jm00018a023
BindingDB Entry DOI: 10.7270/Q22B8W65 |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281639
((2S,4S,5S)-6-Cyclohexyl-5-hexanoylamino-4-hydroxy-...)Show SMILES CCCCCC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C(C)CC)C(=O)NCc1ccccn1 Show InChI InChI=1S/C33H56N4O4/c1-6-8-10-18-30(39)36-28(20-25-15-11-9-12-16-25)29(38)21-27(23(3)4)32(40)37-31(24(5)7-2)33(41)35-22-26-17-13-14-19-34-26/h13-14,17,19,23-25,27-29,31,38H,6-12,15-16,18,20-22H2,1-5H3,(H,35,41)(H,36,39)(H,37,40)/t24?,27-,28-,29-,31-/m0/s1 | PDB
MMDB
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B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50046929
(CHEMBL369428 | N-(4-{1-[(1H-Benzoimidazol-2-ylmeth...)Show SMILES CCC(C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccc(C)cc1OCCOc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C45H61N5O7/c1-6-30(5)40(45(55)46-27-38-47-34-19-13-14-20-35(34)48-38)50-44(54)39(28(2)3)42(52)41(51)36(26-31-15-9-7-10-16-31)49-43(53)33-22-21-29(4)25-37(33)57-24-23-56-32-17-11-8-12-18-32/h8,11-14,17-22,25,28,30-31,36,39-42,51-52H,6-7,9-10,15-16,23-24,26-27H2,1-5H3,(H,46,55)(H,47,48)(H,49,53)(H,50,54)/t30?,36-,39+,40-,41+,42+/m0/s1 | PDB
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 protease in vitro. |
J Med Chem 36: 941-52 (1993)
BindingDB Entry DOI: 10.7270/Q2VX0H54 |
More data for this
Ligand-Target Pair | |
Cathepsin E
(Homo sapiens (Human)) | BDBM50281638
((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-5-{(S)-3-(1H-imi...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O6/c1-5-30(4)42(45(57)48-26-33-18-11-12-21-47-33)52-43(55)36(29(2)3)24-39(53)37(22-31-14-7-6-8-15-31)51-44(56)38(23-34-25-46-28-49-34)50-41(54)27-58-40-20-13-17-32-16-9-10-19-35(32)40/h9-13,16-21,25,28-31,36-39,42,53H,5-8,14-15,22-24,26-27H2,1-4H3,(H,46,49)(H,48,57)(H,50,54)(H,51,56)(H,52,55)/t30?,36-,37-,38-,39-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin E |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281646
((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-(2...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)COc1ccccc1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C35H52N4O5/c1-5-25(4)33(35(43)37-22-27-16-12-13-19-36-27)39-34(42)29(24(2)3)21-31(40)30(20-26-14-8-6-9-15-26)38-32(41)23-44-28-17-10-7-11-18-28/h7,10-13,16-19,24-26,29-31,33,40H,5-6,8-9,14-15,20-23H2,1-4H3,(H,37,43)(H,38,41)(H,39,42)/t25?,29-,30-,31-,33-/m0/s1 | PDB
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281637
((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-{(...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C44H63N5O6/c1-7-30(6)41(43(53)46-26-33-20-13-14-23-45-33)49-42(52)35(28(2)3)25-37(50)36(24-31-16-9-8-10-17-31)47-44(54)40(29(4)5)48-39(51)27-55-38-22-15-19-32-18-11-12-21-34(32)38/h11-15,18-23,28-31,35-37,40-41,50H,7-10,16-17,24-27H2,1-6H3,(H,46,53)(H,47,54)(H,48,51)(H,49,52)/t30?,35-,36-,37-,40-,41-/m0/s1 | PDB
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50281636
((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1 | PDB
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UniProtKB/TrEMBL
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| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of HIV-2 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50281645
((2S,4S,5S)-6-Cyclohexyl-5-(3,3-dimethyl-butyrylami...)Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C33H56N4O4/c1-8-23(4)30(32(41)35-21-25-16-12-13-17-34-25)37-31(40)26(22(2)3)19-28(38)27(18-24-14-10-9-11-15-24)36-29(39)20-33(5,6)7/h12-13,16-17,22-24,26-28,30,38H,8-11,14-15,18-21H2,1-7H3,(H,35,41)(H,36,39)(H,37,40)/t23?,26-,27-,28-,30-/m0/s1 | PDB
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DrugBank
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UniChem
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against HIV-1 protease |
Bioorg Med Chem Lett 3: 819-824 (1993)
Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ |
More data for this
Ligand-Target Pair | |
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