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BDBM50099809 4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-benzyl-pyrrolidin-2-ylmethyl)-amide::CHEMBL53102

SMILES: COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1Cc1ccccc1

InChI Key: InChIKey=UGGRLDVMPAOIFF-GOSISDBHSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50099809   
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))
BDBM50099809
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-12-6-5-11-19(20)22(25)14-21(23)24(28)26-15-18-10-7-13-27(18)16-17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15-16H2,1H3,(H,26,28)/t18-/m1/s1
KEGG

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PC cid
PC sid
UniChem

Similars

PubMed
1.40n/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(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50099809
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-12-6-5-11-19(20)22(25)14-21(23)24(28)26-15-18-10-7-13-27(18)16-17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15-16H2,1H3,(H,26,28)/t18-/m1/s1
PDB

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PC sid
UniChem

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PubMed
11.4n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50099809
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-12-6-5-11-19(20)22(25)14-21(23)24(28)26-15-18-10-7-13-27(18)16-17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15-16H2,1H3,(H,26,28)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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PubMed
230n/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