Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50499067' 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 |
|---|
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
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