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BDBM50017686 4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butyramide::CHEMBL421665::Fluperamide

SMILES: CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=WPYGCZCMGMVGNO-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 = 50017686   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50017686
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3
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Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50017686
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3
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Article
PubMed
2.15E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 5275-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.032
BindingDB Entry DOI: 10.7270/Q2K073RN
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50017686
PNG
(4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3
PDB

KEGG

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antibodypedia
antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...


J Med Chem 28: 381-8 (1985)


BindingDB Entry DOI: 10.7270/Q2Z321T8
More data for this
Ligand-Target Pair