Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50499065' 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)) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=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/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,43-,44-,45-,46-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 27 | 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)) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=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/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,43-,44-,45-,46-/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 | 89 | 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) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=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/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 230 | 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 | |