Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50173129' 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)) | BDBM50173129
(CHEMBL3810104)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C79H110N24O13/c1-42-31-51(105)32-43(2)54(42)38-56(80)68(109)97-60(19-11-28-92-78(86)87)71(112)102-65-36-47-13-5-6-14-48(47)41-103(75(65)116)30-25-66(107)95-59(18-10-27-91-77(84)85)69(110)99-62(35-46-21-23-50(104)24-22-46)72(113)101-64(39-55-44(3)33-52(106)34-45(55)4)74(115)98-61(20-12-29-93-79(88)89)70(111)100-63(37-49-40-94-57-16-8-7-15-53(49)57)73(114)96-58(67(81)108)17-9-26-90-76(82)83/h5-8,13-16,21-24,31-34,40,56,58-65,94,104-106H,9-12,17-20,25-30,35-39,41,80H2,1-4H3,(H2,81,108)(H,95,107)(H,96,114)(H,97,109)(H,98,115)(H,99,110)(H,100,111)(H,101,113)(H,102,112)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t56-,58-,59-,60+,61-,62-,63-,64-,65-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976 BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50173129
(CHEMBL3810104)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C79H110N24O13/c1-42-31-51(105)32-43(2)54(42)38-56(80)68(109)97-60(19-11-28-92-78(86)87)71(112)102-65-36-47-13-5-6-14-48(47)41-103(75(65)116)30-25-66(107)95-59(18-10-27-91-77(84)85)69(110)99-62(35-46-21-23-50(104)24-22-46)72(113)101-64(39-55-44(3)33-52(106)34-45(55)4)74(115)98-61(20-12-29-93-79(88)89)70(111)100-63(37-49-40-94-57-16-8-7-15-53(49)57)73(114)96-58(67(81)108)17-9-26-90-76(82)83/h5-8,13-16,21-24,31-34,40,56,58-65,94,104-106H,9-12,17-20,25-30,35-39,41,80H2,1-4H3,(H2,81,108)(H,95,107)(H,96,114)(H,97,109)(H,98,115)(H,99,110)(H,100,111)(H,101,113)(H,102,112)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t56-,58-,59-,60+,61-,62-,63-,64-,65-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-induced contraction by isometric force transducer a... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976 BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this Ligand-Target Pair | |