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BDBM50061338 CHEMBL337627::[2-(4-Chloro-phenoxy)-ethyl]-(3-phenylsulfanyl-propyl)-amine

SMILES: Clc1ccc(OCCNCCCSc2ccccc2)cc1

InChI Key: InChIKey=HGOOBSLSWOJAPR-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 = 50061338   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50061338
PNG
(CHEMBL337627 | [2-(4-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1ccc(OCCNCCCSc2ccccc2)cc1
Show InChI InChI=1S/C17H20ClNOS/c18-15-7-9-16(10-8-15)20-13-12-19-11-4-14-21-17-5-2-1-3-6-17/h1-3,5-10,19H,4,11-14H2
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PubMed
1.40n/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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50061338
PNG
(CHEMBL337627 | [2-(4-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1ccc(OCCNCCCSc2ccccc2)cc1
Show InChI InChI=1S/C17H20ClNOS/c18-15-7-9-16(10-8-15)20-13-12-19-11-4-14-21-17-5-2-1-3-6-17/h1-3,5-10,19H,4,11-14H2
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
95n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine receptor D3 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50061338
PNG
(CHEMBL337627 | [2-(4-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1ccc(OCCNCCCSc2ccccc2)cc1
Show InChI InChI=1S/C17H20ClNOS/c18-15-7-9-16(10-8-15)20-13-12-19-11-4-14-21-17-5-2-1-3-6-17/h1-3,5-10,19H,4,11-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
227n/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