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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50004817'   
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004817
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-methyl-be...)
Show SMILES Cc1ccccc1CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C31H34FN3O2/c1-24-8-5-6-9-26(24)22-34-23-35(28-10-3-2-4-11-28)31(30(34)37)17-20-33(21-18-31)19-7-12-29(36)25-13-15-27(32)16-14-25/h2-6,8-11,13-16H,7,12,17-23H2,1H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair