Found 7 hits of Enzyme Inhibition Constant Data 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 |
|---|
Delta-type opioid receptor
(MOUSE) | BDBM50404819
(CHEMBL33000)Show SMILES COc1ccc(C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CCSC)C(N)=O)cc1 Show InChI InChI=1S/C29H39N7O8S/c1-17(33-28(40)22(30)14-18-6-10-21(44-2)11-7-18)27(39)32-16-25(37)34-24(15-19-4-8-20(9-5-19)36(42)43)29(41)35-23(26(31)38)12-13-45-3/h4-11,17,22-24H,12-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41)/t17-,22-,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity contractions of electrically stimulated mouse vas deferens was determined |
J Med Chem 25: 1428-31 (1983)
BindingDB Entry DOI: 10.7270/Q2N87C0G |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50404816
(CHEMBL434006)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C29H39N7O8/c1-16(2)12-23(26(31)39)35-29(42)24(14-19-4-8-20(9-5-19)36(43)44)34-25(38)15-32-27(40)17(3)33-28(41)22(30)13-18-6-10-21(37)11-7-18/h4-11,16-17,22-24,37H,12-15,30H2,1-3H3,(H2,31,39)(H,32,40)(H,33,41)(H,34,38)(H,35,42)/t17-,22-,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity contractions of electrically stimulated mouse vas deferens was determined |
J Med Chem 25: 1428-31 (1983)
BindingDB Entry DOI: 10.7270/Q2N87C0G |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50452137
(CHEMBL2372195)Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)C(C)(C)C Show InChI InChI=1S/C29H40N6O6/c1-17(33-27(40)21(30)14-19-10-12-20(36)13-11-19)26(39)32-16-23(37)34-22(15-18-8-6-5-7-9-18)28(41)35-24(25(31)38)29(2,3)4/h5-13,17,21-22,24,36H,14-16,30H2,1-4H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41)/t17-,21-,22-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity contractions of electrically stimulated mouse vas deferens was determined |
J Med Chem 25: 1428-31 (1983)
BindingDB Entry DOI: 10.7270/Q2N87C0G |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50404817
(CHEMBL431895)Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O |TLB:45:44:47:40.39.41,45:40:47:44.46.43,THB:43:42:39:44.46.45,43:44:39:42.47.41| Show InChI InChI=1S/C36H47N7O8/c1-20(40-34(48)28(37)13-21-4-8-27(44)9-5-21)33(47)39-19-31(45)41-29(14-22-2-6-26(7-3-22)43(50)51)35(49)42-30(32(38)46)18-36-15-23-10-24(16-36)12-25(11-23)17-36/h2-9,20,23-25,28-30,44H,10-19,37H2,1H3,(H2,38,46)(H,39,47)(H,40,48)(H,41,45)(H,42,49)/t20-,23?,24?,25?,28-,29-,30-,36?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity contractions of electrically stimulated mouse vas deferens was determined |
J Med Chem 25: 1428-31 (1983)
BindingDB Entry DOI: 10.7270/Q2N87C0G |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50404815
(CHEMBL218872)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC[C]1234B5B6B5[B--]115[B--]789B%10B%11B%10[C]217[B--]38%11[B--]4659)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C26H37B10N6O6/c1-13(2)10-19(21(38)45)42-24(48)18(41-20(44)12-39-22(46)14(3)40-23(47)17(37)11-15-4-6-16(43)7-5-15)8-9-26-25-27-29-30(27)35(25)33(25,26,29)36(26,35)32-28(26)31(32)34(25,26,35)36/h4-7,13-14,17-19,43H,8-12,37H2,1-3H3,(H2,38,45)(H,39,46)(H,40,47)(H,41,44)(H,42,48)/q-8/t14-,17-,18-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC sid
UniChem
| PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity contractions of electrically stimulated mouse vas deferens was determined |
J Med Chem 25: 1428-31 (1983)
BindingDB Entry DOI: 10.7270/Q2N87C0G |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50404820
(CHEMBL431501)Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O |TLB:42:41:44:37.36.38,42:37:44:41.43.40,THB:40:39:36:41.43.42,40:41:36:39.44.38| Show InChI InChI=1S/C36H48N6O6/c1-21(40-34(47)28(37)14-23-7-9-27(43)10-8-23)33(46)39-20-31(44)41-29(15-22-5-3-2-4-6-22)35(48)42-30(32(38)45)19-36-16-24-11-25(17-36)13-26(12-24)18-36/h2-10,21,24-26,28-30,43H,11-20,37H2,1H3,(H2,38,45)(H,39,46)(H,40,47)(H,41,44)(H,42,48)/t21-,24?,25?,26?,28-,29-,30-,36?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity contractions of electrically stimulated mouse vas deferens was determined |
J Med Chem 25: 1428-31 (1983)
BindingDB Entry DOI: 10.7270/Q2N87C0G |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50404814
(CHEMBL282178)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |TLB:17:12:19:16.18.15,17:16:19:12.11.13,THB:15:14:11:16.18.17,15:16:11:14.19.13| Show InChI InChI=1S/C33H50N6O6/c1-18(2)8-26(29(35)42)39-32(45)27(16-33-13-21-9-22(14-33)11-23(10-21)15-33)38-28(41)17-36-30(43)19(3)37-31(44)25(34)12-20-4-6-24(40)7-5-20/h4-7,18-19,21-23,25-27,40H,8-17,34H2,1-3H3,(H2,35,42)(H,36,43)(H,37,44)(H,38,41)(H,39,45)/t19-,21?,22?,23?,25-,26-,27-,33?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity contractions of electrically stimulated mouse vas deferens was determined |
J Med Chem 25: 1428-31 (1983)
BindingDB Entry DOI: 10.7270/Q2N87C0G |
More data for this
Ligand-Target Pair | |
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