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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 = 'BDBM50258402'   
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))
BDBM50258402
PNG
(CHEMBL4065568)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Show InChI InChI=1S/C22H24ClN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50258402
PNG
(CHEMBL4065568)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Show InChI InChI=1S/C22H24ClN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 56n/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant D2S receptor expressed in HEK-293 cells by cellular dielectric spectroscopy


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair