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BDBM50099821 4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9-benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide::CHEMBL52588

SMILES: COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1

InChI Key: InChIKey=JDNRAJORTMVTCX-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 = 50099821   
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
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099821
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
Show InChI InChI=1S/C27H29BrN2O2/c1-32-26-23-13-6-5-12-22(23)25(28)16-24(26)27(31)29-19-14-20-10-7-11-21(15-19)30(20)17-18-8-3-2-4-9-18/h2-6,8-9,12-13,16,19-21H,7,10-11,14-15,17H2,1H3,(H,29,31)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0400n/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)


Article DOI: 10.1021/jm0100077
BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50099821
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
Show InChI InChI=1S/C27H29BrN2O2/c1-32-26-23-13-6-5-12-22(23)25(28)16-24(26)27(31)29-19-14-20-10-7-11-21(15-19)30(20)17-18-8-3-2-4-9-18/h2-6,8-9,12-13,16,19-21H,7,10-11,14-15,17H2,1H3,(H,29,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/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)


Article DOI: 10.1021/jm0100077
BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50099821
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
Show InChI InChI=1S/C27H29BrN2O2/c1-32-26-23-13-6-5-12-22(23)25(28)16-24(26)27(31)29-19-14-20-10-7-11-21(15-19)30(20)17-18-8-3-2-4-9-18/h2-6,8-9,12-13,16,19-21H,7,10-11,14-15,17H2,1H3,(H,29,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
74n/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)


Article DOI: 10.1021/jm0100077
BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair