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BDBM50132652 1-Cyclooctylmethyl-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol::CHEMBL113684

SMILES: OC1(CCN(CC2CCCCCCC2)CC1)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=KXELCMOUZVFRPN-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50132652   
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))
BDBM50132652
PNG
(1-Cyclooctylmethyl-4-(3-trifluoromethyl-phenyl)-pi...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H30F3NO/c22-21(23,24)19-10-6-9-18(15-19)20(26)11-13-25(14-12-20)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17,26H,1-5,7-8,11-14,16H2
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PC cid
PC sid
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Similars

PubMed
102n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against orphan FQ receptor


Bioorg Med Chem Lett 13: 3247-52 (2003)


BindingDB Entry DOI: 10.7270/Q2K936XQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50132652
PNG
(1-Cyclooctylmethyl-4-(3-trifluoromethyl-phenyl)-pi...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H30F3NO/c22-21(23,24)19-10-6-9-18(15-19)20(26)11-13-25(14-12-20)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17,26H,1-5,7-8,11-14,16H2
PDB

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PubMed
113n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against opioid receptor mu1


Bioorg Med Chem Lett 13: 3247-52 (2003)


BindingDB Entry DOI: 10.7270/Q2K936XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50132652
PNG
(1-Cyclooctylmethyl-4-(3-trifluoromethyl-phenyl)-pi...)
Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H30F3NO/c22-21(23,24)19-10-6-9-18(15-19)20(26)11-13-25(14-12-20)16-17-7-4-2-1-3-5-8-17/h6,9-10,15,17,26H,1-5,7-8,11-14,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

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PubMed
4.24E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against opioid receptor kappa 1


Bioorg Med Chem Lett 13: 3247-52 (2003)


BindingDB Entry DOI: 10.7270/Q2K936XQ
More data for this
Ligand-Target Pair