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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 = 'BDBM50050470'   
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))
BDBM50050470
PNG
(1-(4-Chloro-benzyl)-4-[5-(4-chloro-phenyl)-isoxazo...)
Show SMILES Clc1ccc(CN2CCC(CC2)c2cc(on2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-16(10-12-25)20-13-21(26-24-20)17-3-7-19(23)8-4-17/h1-8,13,16H,9-12,14H2
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
160n/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))
BDBM50050470
PNG
(1-(4-Chloro-benzyl)-4-[5-(4-chloro-phenyl)-isoxazo...)
Show SMILES Clc1ccc(CN2CCC(CC2)c2cc(on2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-16(10-12-25)20-13-21(26-24-20)17-3-7-19(23)8-4-17/h1-8,13,16H,9-12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
160n/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