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BDBM50173267 1'-cyclooctylmethyl-1-(2-hydroxyethyl)spiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one::CHEMBL380603

SMILES: OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12

InChI Key: InChIKey=IXGOFFNUXCZZJI-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50173267   
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 receptor


(Homo sapiens (Human))
BDBM50173267
PNG
(1'-cyclooctylmethyl-1-(2-hydroxyethyl)spiro[2,3-di...)
Show SMILES OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
Show InChI InChI=1S/C23H34N2O2/c26-17-16-25-21-11-7-6-10-20(21)23(22(25)27)12-14-24(15-13-23)18-19-8-4-2-1-3-5-9-19/h6-7,10-11,19,26H,1-5,8-9,12-18H2
PDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity determined by the ability to compete with [125I]-Tyr14- nociceptin from binding to human opiate receptor-like 1 expressed in HEK293 ...


Bioorg Med Chem Lett 15: 5022-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.009
BindingDB Entry DOI: 10.7270/Q2RF5TKC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173267
PNG
(1'-cyclooctylmethyl-1-(2-hydroxyethyl)spiro[2,3-di...)
Show SMILES OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
Show InChI InChI=1S/C23H34N2O2/c26-17-16-25-21-11-7-6-10-20(21)23(22(25)27)12-14-24(15-13-23)18-19-8-4-2-1-3-5-9-19/h6-7,10-11,19,26H,1-5,8-9,12-18H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.69E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor mu 1 expressed in HEK293 cells using [3H]DAMGO radioligand


Bioorg Med Chem Lett 15: 5022-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.009
BindingDB Entry DOI: 10.7270/Q2RF5TKC
More data for this
Ligand-Target Pair