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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50001811'   
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))
BDBM50001811
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1=CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H27FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-8,16-17H,9-15H2,1H3,(H,27,31)
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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor by [3H]-Spiperone displacement.


J Med Chem 37: 950-62 (1994)


Article DOI: 10.1021/jm00033a013
BindingDB Entry DOI: 10.7270/Q2GF0SKK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001811
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1=CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H27FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-8,16-17H,9-15H2,1H3,(H,27,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair