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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 = 'BDBM50505709'   
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))
BDBM50505709
PNG
(CHEMBL4460743)
Show SMILES COc1ccc(cc1)N(Cc1ccccc1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C29H37N5O3/c1-36-26-15-13-25(14-16-26)34(23-24-9-4-3-5-10-24)31-29(35)30-17-8-18-32-19-21-33(22-20-32)27-11-6-7-12-28(27)37-2/h3-7,9-16H,8,17-23H2,1-2H3,(H2,30,31,35)
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PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] Spiperone from human D2S receptor expressed in CHO cells by competitive radioligand binding assay


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
BindingDB Entry DOI: 10.7270/Q2GB27BJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50505709
PNG
(CHEMBL4460743)
Show SMILES COc1ccc(cc1)N(Cc1ccccc1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C29H37N5O3/c1-36-26-15-13-25(14-16-26)34(23-24-9-4-3-5-10-24)31-29(35)30-17-8-18-32-19-21-33(22-20-32)27-11-6-7-12-28(27)37-2/h3-7,9-16H,8,17-23H2,1-2H3,(H2,30,31,35)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
45n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] Spiperone from human D2L receptor expressed in CHO cells by competitive radioligand binding assay


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
BindingDB Entry DOI: 10.7270/Q2GB27BJ
More data for this
Ligand-Target Pair