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BDBM50013955 N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide::N-methyl-2-(naphthalen-2-yl)-N-[(2S)-2-(pyrrolidin-1-yl)cyclohexyl]acetamide

SMILES: CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1

InChI Key: InChIKey=KILKAFDVKRZHIX-KEKNWZKVSA-N

Data: 8 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 8 hits for monomerid = 50013955   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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11n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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1.44E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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1.62E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Sigma opioid receptor was determined in presence of [3H](+)-3-PPP radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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1.67E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593. radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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2.21E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593 radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50013955
PNG
(N-Methyl-2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21?,22-/m0/s1
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7.35E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards dopamine-D2 receptor was determined in presence of [3H](-)-sulpiride radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair