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BDBM50112794 1-Phenyl-4-[4-(3-thiophen-2-yl-isoxazol-5-yl)-butyl]-piperazine; hydrochloride::CHEMBL542324

SMILES: C(CCc1cc(no1)-c1cccs1)CN1CCN(CC1)c1ccccc1

InChI Key: InChIKey=RJETZHUBOZSCPH-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 = 50112794   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50112794
PNG
(1-Phenyl-4-[4-(3-thiophen-2-yl-isoxazol-5-yl)-buty...)
Show SMILES C(CCc1cc(no1)-c1cccs1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25N3OS/c1-2-7-18(8-3-1)24-14-12-23(13-15-24)11-5-4-9-19-17-20(22-25-19)21-10-6-16-26-21/h1-3,6-8,10,16-17H,4-5,9,11-15H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
15n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50112794
PNG
(1-Phenyl-4-[4-(3-thiophen-2-yl-isoxazol-5-yl)-buty...)
Show SMILES C(CCc1cc(no1)-c1cccs1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25N3OS/c1-2-7-18(8-3-1)24-14-12-23(13-15-24)11-5-4-9-19-17-20(22-25-19)21-10-6-16-26-21/h1-3,6-8,10,16-17H,4-5,9,11-15H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
117n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50112794
PNG
(1-Phenyl-4-[4-(3-thiophen-2-yl-isoxazol-5-yl)-buty...)
Show SMILES C(CCc1cc(no1)-c1cccs1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25N3OS/c1-2-7-18(8-3-1)24-14-12-23(13-15-24)11-5-4-9-19-17-20(22-25-19)21-10-6-16-26-21/h1-3,6-8,10,16-17H,4-5,9,11-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.14E+3n/an/an/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]spiperone from the cloned human Dopamine receptor D2 long expressed in CHO cells


Bioorg Med Chem Lett 12: 1327-30 (2002)


BindingDB Entry DOI: 10.7270/Q2C53MC8
More data for this
Ligand-Target Pair