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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50050472'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50050472
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethy...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
520n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50050472
PNG
(4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethy...)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
520n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human Dopamine receptor D2 expressed in CHO cells


J Med Chem 39: 1943-5 (1996)


Article DOI: 10.1021/jm960072u
BindingDB Entry DOI: 10.7270/Q2H41QG0
More data for this
Ligand-Target Pair