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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 = 'BDBM50121335'   
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))
BDBM50121335
PNG
(CHEMBL3622099)
Show SMILES CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H33BrN4/c1-2-12-30(23-9-7-22(26)8-10-23)19-18-29-16-14-28(15-17-29)13-11-21-20-27-25-6-4-3-5-24(21)25/h3-10,20,27H,2,11-19H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
51n/an/an/an/an/an/an/an/a



Universit degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in CHO cells


ACS Med Chem Lett 6: 882-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00131
BindingDB Entry DOI: 10.7270/Q2708376
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50121335
PNG
(CHEMBL3622099)
Show SMILES CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H33BrN4/c1-2-12-30(23-9-7-22(26)8-10-23)19-18-29-16-14-28(15-17-29)13-11-21-20-27-25-6-4-3-5-24(21)25/h3-10,20,27H,2,11-19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
58n/an/an/an/an/an/an/an/a



Universit degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cells


ACS Med Chem Lett 6: 882-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00131
BindingDB Entry DOI: 10.7270/Q2708376
More data for this
Ligand-Target Pair