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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 = 'BDBM50302217'   
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))
BDBM50302217
PNG
(7-(4-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-y...)
Show SMILES Fc1ccc2[nH]c3CCC(CN4CCN(CC4)c4cccc5[nH]c(=O)oc45)Cc3c2c1
Show InChI InChI=1S/C24H25FN4O2/c25-16-5-7-20-18(13-16)17-12-15(4-6-19(17)26-20)14-28-8-10-29(11-9-28)22-3-1-2-21-23(22)31-24(30)27-21/h1-3,5,7,13,15,26H,4,6,8-12,14H2,(H,27,30)
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PC cid
PC sid
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Similars

Article
PubMed
60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50302217
PNG
(7-(4-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-y...)
Show SMILES Fc1ccc2[nH]c3CCC(CN4CCN(CC4)c4cccc5[nH]c(=O)oc45)Cc3c2c1
Show InChI InChI=1S/C24H25FN4O2/c25-16-5-7-20-18(13-16)17-12-15(4-6-19(17)26-20)14-28-8-10-29(11-9-28)22-3-1-2-21-23(22)31-24(30)27-21/h1-3,5,7,13,15,26H,4,6,8-12,14H2,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5552-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC
More data for this
Ligand-Target Pair