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BDBM50099815 4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((R)-1-cyclohexyl-pyrrolidin-2-ylmethyl)-amide::4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-cyclohexyl-pyrrolidin-2-ylmethyl)-amide::CHEMBL53038

SMILES: COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1

InChI Key: InChIKey=JVVXYJOBIBKLSD-QGZVFWFLSA-N

Data: 6 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50099815   
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
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099815
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m1/s1
KEGG

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3.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.


J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099815
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50099815
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m1/s1
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18n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of [3H]-(+)-pentazocine binding to Sigma opioid receptor of guiena pig brain membrane


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50099815
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m1/s1
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20.7n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.


J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50099815
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m1/s1
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58n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D2 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50099815
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m1/s1
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58n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.


J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair