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BDBM50099816 4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-bicyclo[3.3.1]non-9-yl-piperidin-4-yl)-amide::CHEMBL53401

SMILES: COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1C2CCCC1CCC2

InChI Key: InChIKey=PDTZJFWZZFJDIT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50099816   
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))
BDBM50099816
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1C2CCCC1CCC2
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-21-11-3-2-10-20(21)23(27)16-22(25)26(30)28-19-12-14-29(15-13-19)24-17-6-4-7-18(24)9-5-8-17/h2-3,10-11,16-19,24H,4-9,12-15H2,1H3,(H,28,30)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.90n/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))
BDBM50099816
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1C2CCCC1CCC2
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-21-11-3-2-10-20(21)23(27)16-22(25)26(30)28-19-12-14-29(15-13-19)24-17-6-4-7-18(24)9-5-8-17/h2-3,10-11,16-19,24H,4-9,12-15H2,1H3,(H,28,30)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
771n/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
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099816
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1C2CCCC1CCC2
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-21-11-3-2-10-20(21)23(27)16-22(25)26(30)28-19-12-14-29(15-13-19)24-17-6-4-7-18(24)9-5-8-17/h2-3,10-11,16-19,24H,4-9,12-15H2,1H3,(H,28,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.43E+3n/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