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BDBM50133923 4-Cyano-1-methoxy-naphthalene-2-carboxylic acid (1-butyl-pyrrolidin-2-ylmethyl)-amide::CHEMBL286252

SMILES: CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC

InChI Key: InChIKey=IDZASIQMRGPBCQ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133923   
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


(Homo sapiens (Human))
BDBM50133923
PNG
(4-Cyano-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC
Show InChI InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D3


J Med Chem 47: 1303-14 (2004)


Article DOI: 10.1021/jm030480f
BindingDB Entry DOI: 10.7270/Q2FN16X5
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50133923
PNG
(4-Cyano-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC
Show InChI InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.810n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


J Med Chem 46: 4377-92 (2003)


Article DOI: 10.1021/jm030085p
BindingDB Entry DOI: 10.7270/Q21V5FPS
More data for this
Ligand-Target Pair