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BDBM50132639 1-(4-Isopropyl-cyclohexyl)-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol::CHEMBL111192

SMILES: CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=CMHHIZVWSJGTOK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50132639   
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))
BDBM50132639
PNG
(1-(4-Isopropyl-cyclohexyl)-4-(3-trifluoromethyl-ph...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H30F3NO/c1-15(2)16-6-8-19(9-7-16)25-12-10-20(26,11-13-25)17-4-3-5-18(14-17)21(22,23)24/h3-5,14-16,19,26H,6-13H2,1-2H3
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12n/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))
BDBM50132639
PNG
(1-(4-Isopropyl-cyclohexyl)-4-(3-trifluoromethyl-ph...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H30F3NO/c1-15(2)16-6-8-19(9-7-16)25-12-10-20(26,11-13-25)17-4-3-5-18(14-17)21(22,23)24/h3-5,14-16,19,26H,6-13H2,1-2H3
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36n/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))
BDBM50132639
PNG
(1-(4-Isopropyl-cyclohexyl)-4-(3-trifluoromethyl-ph...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H30F3NO/c1-15(2)16-6-8-19(9-7-16)25-12-10-20(26,11-13-25)17-4-3-5-18(14-17)21(22,23)24/h3-5,14-16,19,26H,6-13H2,1-2H3
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4.15E+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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50132639
PNG
(1-(4-Isopropyl-cyclohexyl)-4-(3-trifluoromethyl-ph...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
Show InChI InChI=1S/C21H30F3NO/c1-15(2)16-6-8-19(9-7-16)25-12-10-20(26,11-13-25)17-4-3-5-18(14-17)21(22,23)24/h3-5,14-16,19,26H,6-13H2,1-2H3
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5.67E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Antagonistic activity against Opioid receptor delta 1


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


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