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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50250803'   
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))
BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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Article
PubMed
260n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method


J Med Chem 60: 9905-9910 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01248
BindingDB Entry DOI: 10.7270/Q21838X7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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260n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from recombinant human D2 long receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation ...


J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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577n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from recombinant human D2 receptor stably expressed in fibroblast measured after 90 mins by microbeta scintilla...


J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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n/an/a 328n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human D2 receptor expressed in CHOK1 cells assessed as inhibition of quinpirole-induced beta arrestin2 recruitment...


J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50250803
PNG
(CHEMBL4083252)
Show SMILES COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Show InChI InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 254n/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human D2 receptor expressed in CHOK1 cells assessed as induction of beta arrestin2 recruitment measured after 30 mins...


J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair