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BDBM50007377 2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide::CHEMBL320882

SMILES: CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=AEJOEPSMZCEYJN-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50007377   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50007377
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...)
Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3
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0.0400n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity for human Kappa opioid receptor


Bioorg Med Chem Lett 14: 5693-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.041
BindingDB Entry DOI: 10.7270/Q27D2TMP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50007377
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...)
Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3
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24n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity for human Delta opioid receptor


Bioorg Med Chem Lett 14: 5693-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.041
BindingDB Entry DOI: 10.7270/Q27D2TMP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50007377
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...)
Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3
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53n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity for human Mu opioid receptor


Bioorg Med Chem Lett 14: 5693-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.041
BindingDB Entry DOI: 10.7270/Q27D2TMP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007377
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...)
Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3
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n/an/a 12n/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.


J Med Chem 34: 3149-58 (1991)


Article DOI: 10.1021/jm00115a001
BindingDB Entry DOI: 10.7270/Q2028S53
More data for this
Ligand-Target Pair