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BDBM50173268 1'-cyclooctylmethyl-1,6-dimethylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one::CHEMBL199011

SMILES: CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(C)cc12

InChI Key: InChIKey=UDMXACKVXLMYLO-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50173268   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50173268
PNG
(1'-cyclooctylmethyl-1,6-dimethylspiro[2,3-dihydro-...)
Show SMILES CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(C)cc12
Show InChI InChI=1S/C23H34N2O/c1-18-10-11-20-21(16-18)24(2)22(26)23(20)12-14-25(15-13-23)17-19-8-6-4-3-5-7-9-19/h10-11,16,19H,3-9,12-15,17H2,1-2H3
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Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor delta 1 expressed in HEK293 cells using [3H]DDPDE 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173268
PNG
(1'-cyclooctylmethyl-1,6-dimethylspiro[2,3-dihydro-...)
Show SMILES CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(C)cc12
Show InChI InChI=1S/C23H34N2O/c1-18-10-11-20-21(16-18)24(2)22(26)23(20)12-14-25(15-13-23)17-19-8-6-4-3-5-7-9-19/h10-11,16,19H,3-9,12-15,17H2,1-2H3
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Article
PubMed
n/an/a 2.38E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor kappa 1 expressed in HEK293 cells using 3H-U69,593 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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50173268
PNG
(1'-cyclooctylmethyl-1,6-dimethylspiro[2,3-dihydro-...)
Show SMILES CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(C)cc12
Show InChI InChI=1S/C23H34N2O/c1-18-10-11-20-21(16-18)24(2)22(26)23(20)12-14-25(15-13-23)17-19-8-6-4-3-5-7-9-19/h10-11,16,19H,3-9,12-15,17H2,1-2H3
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PubMed
n/an/a 150n/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))
BDBM50173268
PNG
(1'-cyclooctylmethyl-1,6-dimethylspiro[2,3-dihydro-...)
Show SMILES CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(C)cc12
Show InChI InChI=1S/C23H34N2O/c1-18-10-11-20-21(16-18)24(2)22(26)23(20)12-14-25(15-13-23)17-19-8-6-4-3-5-7-9-19/h10-11,16,19H,3-9,12-15,17H2,1-2H3
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Article
PubMed
n/an/a 6.47E+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