Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50036152 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
| 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
Antagonism against bradykinin receptor B2 in guinea pig ileal tissue |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50231016
(CHEMBL409073)Show SMILES CC(C)[C@@H]([C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1C(O)=Cc2ccccc12 |c:50| Show InChI InChI=1S/C42H51N5O7/c1-25(2)37(42(53)47-38-31-17-9-7-14-28(31)20-34(38)48)40(51)39(50)32(19-26-11-4-3-5-12-26)46-41(52)33(21-29-22-43-24-44-29)45-36(49)23-54-35-18-10-15-27-13-6-8-16-30(27)35/h6-10,13-18,20,22,24-26,32-33,37-40,48,50-51H,3-5,11-12,19,21,23H2,1-2H3,(H,43,44)(H,45,49)(H,46,52)(H,47,53)/t32-,33-,37-,38+,39-,40-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
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
Tested for inhibitory activity against HIV-1 protease |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50231125
(CHEMBL313256)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C45H61N7O6/c1-6-30(4)42(45(57)52(5)40-21-12-13-22-47-40)51-43(55)35(29(2)3)25-38(53)36(23-31-15-8-7-9-16-31)50-44(56)37(24-33-26-46-28-48-33)49-41(54)27-58-39-20-14-18-32-17-10-11-19-34(32)39/h10-14,17-22,26,28-31,35-38,42,53H,6-9,15-16,23-25,27H2,1-5H3,(H,46,48)(H,49,54)(H,50,56)(H,51,55)/t30-,35-,36-,37-,38-,42-/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
Tested for inhibitory activity against HIV-1 protease |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50231130
(CHEMBL2304004)Show SMILES CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C43H57N7O7/c1-27(2)33(41(54)49-40(28(3)51)43(56)50(4)38-19-10-11-20-45-38)23-36(52)34(21-29-13-6-5-7-14-29)48-42(55)35(22-31-24-44-26-46-31)47-39(53)25-57-37-18-12-16-30-15-8-9-17-32(30)37/h8-12,15-20,24,26-29,33-36,40,51-52H,5-7,13-14,21-23,25H2,1-4H3,(H,44,46)(H,47,53)(H,48,55)(H,49,54)/t28-,33+,34+,35+,36+,40+/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
Antagonism against bradykinin receptor B2 in guinea pig ileal tissue |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50231126
(CHEMBL2304050)Show SMILES CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CO)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C42H55N7O7/c1-27(2)32(40(53)48-35(24-50)42(55)49(3)38-18-9-10-19-44-38)22-36(51)33(20-28-12-5-4-6-13-28)47-41(54)34(21-30-23-43-26-45-30)46-39(52)25-56-37-17-11-15-29-14-7-8-16-31(29)37/h7-11,14-19,23,26-28,32-36,50-51H,4-6,12-13,20-22,24-25H2,1-3H3,(H,43,45)(H,46,52)(H,47,54)(H,48,53)/t32-,33-,34-,35-,36-/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
Antagonism against bradykinin receptor B2 in guinea pig ileal tissue |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50422002
(CHEMBL2304049)Show SMILES CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N[C@@H](CO)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C41H57N5O7/c1-26(2)31(39(50)44-33(24-47)41(52)46(5)36-20-11-12-21-42-36)23-34(48)32(22-28-14-7-6-8-15-28)43-40(51)38(27(3)4)45-37(49)25-53-35-19-13-17-29-16-9-10-18-30(29)35/h9-13,16-21,26-28,31-34,38,47-48H,6-8,14-15,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,45,49)/t31-,32-,33-,34-,38-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against HIV-1 protease |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50231128
(CHEMBL2304003)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)[C@@H](C)O)C(C)C)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C43H61N5O7/c1-7-28(4)39(43(54)48(6)37-22-13-14-23-44-37)47-41(52)33(27(2)3)25-35(50)34(24-30-16-9-8-10-17-30)45-42(53)40(29(5)49)46-38(51)26-55-36-21-15-19-31-18-11-12-20-32(31)36/h11-15,18-23,27-30,33-35,39-40,49-50H,7-10,16-17,24-26H2,1-6H3,(H,45,53)(H,46,51)(H,47,52)/t28-,29+,33-,34-,35-,39-,40-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Antagonism against bradykinin receptor B2 in guinea pig ileal tissue |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50231017
(CHEMBL1790706)Show SMILES CC(C)[C@@H]([C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)[C@@H](C)O)C(=O)N[C@H]1C(O)=Cc2ccccc12 |c:46| Show InChI InChI=1S/C40H51N3O8/c1-23(2)34(39(49)43-36-29-18-10-8-15-27(29)21-31(36)45)38(48)37(47)30(20-25-12-5-4-6-13-25)41-40(50)35(24(3)44)42-33(46)22-51-32-19-11-16-26-14-7-9-17-28(26)32/h7-11,14-19,21,23-25,30,34-38,44-45,47-48H,4-6,12-13,20,22H2,1-3H3,(H,41,50)(H,42,46)(H,43,49)/t24-,30+,34+,35+,36-,37+,38+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against HIV-1 protease |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50231127
(CHEMBL2304047)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C42H59N5O7/c1-6-28(4)39(42(53)47(5)37-21-12-13-22-43-37)46-40(51)32(27(2)3)24-35(49)33(23-29-15-8-7-9-16-29)45-41(52)34(25-48)44-38(50)26-54-36-20-14-18-30-17-10-11-19-31(30)36/h10-14,17-22,27-29,32-35,39,48-49H,6-9,15-16,23-26H2,1-5H3,(H,44,50)(H,45,52)(H,46,51)/t28-,32-,33-,34-,35-,39-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Selective binding affinity against Opioid receptor delta 1, using [3H]DPDPE as radioligand |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50422001
(CHEMBL2304002)Show SMILES CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C42H59N5O7/c1-26(2)32(40(51)46-39(28(5)48)42(53)47(6)36-21-12-13-22-43-36)24-34(49)33(23-29-15-8-7-9-16-29)44-41(52)38(27(3)4)45-37(50)25-54-35-20-14-18-30-17-10-11-19-31(30)35/h10-14,17-22,26-29,32-34,38-39,48-49H,7-9,15-16,23-25H2,1-6H3,(H,44,52)(H,45,50)(H,46,51)/t28-,32+,33+,34+,38+,39+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against HIV-1 protease |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50044556
(1N-(2-hydroxy-1H-1-indenyl)-6-cyclohexyl-3,4-dihyd...)Show SMILES CC(C)[C@@H]([C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1C(=O)Cc2ccccc12 Show InChI InChI=1S/C39H49N3O8/c1-23(2)34(39(49)42-35-28-17-9-7-14-26(28)20-31(35)44)37(47)36(46)29(19-24-11-4-3-5-12-24)41-38(48)30(21-43)40-33(45)22-50-32-18-10-15-25-13-6-8-16-27(25)32/h6-10,13-18,23-24,29-30,34-37,43,46-47H,3-5,11-12,19-22H2,1-2H3,(H,40,45)(H,41,48)(H,42,49)/t29-,30-,34-,35+,36-,37-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against HIV-1 protease |
J Med Chem 36: 2575-7 (1993)
BindingDB Entry DOI: 10.7270/Q23R0THS |
More data for this
Ligand-Target Pair | |
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