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BDBM50061349 CHEMBL129534::[2-(3-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine

SMILES: Clc1cccc(OCCNCCCOc2ccccc2)c1

InChI Key: InChIKey=BJMUZOAJZPCYCW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50061349   
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 receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061349
PNG
(CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1cccc(OCCNCCCOc2ccccc2)c1
Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2
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PubMed
0.309n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined


Bioorg Med Chem Lett 15: 2149-57 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.012
BindingDB Entry DOI: 10.7270/Q2RR20G2
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061349
PNG
(CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1cccc(OCCNCCCOc2ccccc2)c1
Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2
Reactome pathway
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PC sid
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Article
PubMed
0.310n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50061349
PNG
(CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1cccc(OCCNCCCOc2ccccc2)c1
Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2
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Article
PubMed
21.9n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D2 was determined


Bioorg Med Chem Lett 15: 2149-57 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.012
BindingDB Entry DOI: 10.7270/Q2RR20G2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50061349
PNG
(CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1cccc(OCCNCCCOc2ccccc2)c1
Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
22n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine receptor D2 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone.


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair