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BDBM50039661 CHEMBL327549::CHIR-4537::N-({Carbamoylmethyl-[2-(4-hydroxy-phenyl)-ethyl]-carbamoyl}-methyl)-N-(3,4-dimethoxy-benzyl)-2-(2,2-diphenyl-ethylamino)-acetamide

SMILES: COc1ccc(CN(CC(=O)N(CCc2ccc(O)cc2)CC(N)=O)C(=O)CNCC(c2ccccc2)c2ccccc2)cc1OC

InChI Key: InChIKey=JRHATSONZNINFA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039661   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50039661
PNG
(CHEMBL327549 | CHIR-4537 | N-({Carbamoylmethyl-[2-...)
Show SMILES COc1ccc(CN(CC(=O)N(CCc2ccc(O)cc2)CC(N)=O)C(=O)CNCC(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C37H42N4O6/c1-46-33-18-15-28(21-34(33)47-2)24-41(26-37(45)40(25-35(38)43)20-19-27-13-16-31(42)17-14-27)36(44)23-39-22-32(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-18,21,32,39,42H,19-20,22-26H2,1-2H3,(H2,38,43)
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Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair