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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 = 'BDBM50018955'   
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))
BDBM50018955
PNG
(CHEMBL3287404)
Show SMILES O\N=C\c1cc2cc(OCCCCN3CCN(CC3)c3cccc(Cl)c3Cl)ccn2n1
Show InChI InChI=1S/C22H25Cl2N5O2/c23-20-4-3-5-21(22(20)24)28-11-9-27(10-12-28)7-1-2-13-31-19-6-8-29-18(15-19)14-17(26-29)16-25-30/h3-6,8,14-16,30H,1-2,7,9-13H2/b25-16+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50018955
PNG
(CHEMBL3287404)
Show SMILES O\N=C\c1cc2cc(OCCCCN3CCN(CC3)c3cccc(Cl)c3Cl)ccn2n1
Show InChI InChI=1S/C22H25Cl2N5O2/c23-20-4-3-5-21(22(20)24)28-11-9-27(10-12-28)7-1-2-13-31-19-6-8-29-18(15-19)14-17(26-29)16-25-30/h3-6,8,14-16,30H,1-2,7,9-13H2/b25-16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

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



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair