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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 = 'BDBM50274262'   
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))
BDBM50274262
PNG
(CHEMBL483593 | N-[N'-Propyl-N'-[4-(2-trimethylsily...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C |c:28|
Show InChI InChI=1S/C31H42N2OSi/c1-5-23-33(30-19-13-26(14-20-30)21-25-35(2,3)4)24-10-9-22-32-31(34)29-17-15-28(16-18-29)27-11-7-6-8-12-27/h6-8,11-13,15-18,30H,5,9-10,14,19-20,22-24H2,1-4H3,(H,32,34)
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PC cid
PC sid
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Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274262
PNG
(CHEMBL483593 | N-[N'-Propyl-N'-[4-(2-trimethylsily...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C |c:28|
Show InChI InChI=1S/C31H42N2OSi/c1-5-23-33(30-19-13-26(14-20-30)21-25-35(2,3)4)24-10-9-22-32-31(34)29-17-15-28(16-18-29)27-11-7-6-8-12-27/h6-8,11-13,15-18,30H,5,9-10,14,19-20,22-24H2,1-4H3,(H,32,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
360n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair