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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dopamine receptors; D2 & D4' and Ligand = 'BDBM50095894'   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50095894
PNG
(3-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrolo[2,3-b...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H20N4/c1-2-5-16(6-3-1)22-11-9-21(10-12-22)14-15-13-20-18-17(15)7-4-8-19-18/h1-8,13H,9-12,14H2,(H,19,20)
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.90n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor D4


J Med Chem 44: 477-501 (2001)


BindingDB Entry DOI: 10.7270/Q24Q7VQH
More data for this
Ligand-Target Pair