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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=RYAUEQRBTUQTPA-XJYHXZFBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50469380   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50469380
PNG
(CHEMBL4276875)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H46N8O5/c1-21-16-25(44)17-22(2)26(21)20-27(36)32(46)41-28(14-9-15-40-35(38)39)33(47)43-30(19-24-12-7-4-8-13-24)34(48)42-29(31(37)45)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,27-30,44H,9,14-15,18-20,36H2,1-2H3,(H2,37,45)(H,41,46)(H,42,48)(H,43,47)(H4,38,39,40)/t27-,28+,29-,30-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0370n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 61: 9784-9789 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50469380
PNG
(CHEMBL4276875)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H46N8O5/c1-21-16-25(44)17-22(2)26(21)20-27(36)32(46)41-28(14-9-15-40-35(38)39)33(47)43-30(19-24-12-7-4-8-13-24)34(48)42-29(31(37)45)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,27-30,44H,9,14-15,18-20,36H2,1-2H3,(H2,37,45)(H,41,46)(H,42,48)(H,43,47)(H4,38,39,40)/t27-,28+,29-,30-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.190n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


J Med Chem 61: 9784-9789 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q
More data for this
Ligand-Target Pair