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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=IKPCVALLIOURGK-QPAQABAZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50469386   
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))
BDBM50469386
PNG
(CHEMBL4278603)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C70H88N14O12/c1-41-33-47(85)34-42(2)49(41)39-50(72)70(96)84-32-16-26-59(84)69(95)83-58(38-46-40-76-51-24-13-12-23-48(46)51)68(94)82-57(37-45-21-10-5-11-22-45)67(93)79-54(28-30-61(74)87)64(90)81-56(36-44-19-8-4-9-20-44)66(92)78-53(27-29-60(73)86)63(89)80-55(35-43-17-6-3-7-18-43)65(91)77-52(62(75)88)25-14-15-31-71/h3-13,17-24,33-34,40,50,52-59,76,85H,14-16,25-32,35-39,71-72H2,1-2H3,(H2,73,86)(H2,74,87)(H2,75,88)(H,77,91)(H,78,92)(H,79,93)(H,80,89)(H,81,90)(H,82,94)(H,83,95)/t50-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
5n/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