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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50370414'   
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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50370414
PNG
(CHEMBL611207 | MESORIDAZINE)
Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O
Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1
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PubMed
317n/an/an/an/an/an/an/an/a



Brigham& Women's Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards human D1 dopamine receptor was determined by using [3H]-SCH- 23390 as radioligand


Bioorg Med Chem Lett 14: 4379-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.078
BindingDB Entry DOI: 10.7270/Q2NZ88DW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50370414
PNG
(CHEMBL611207 | MESORIDAZINE)
Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O
Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
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CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
317n/an/an/an/an/an/an/an/a



Brigham& Women's Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards human D1 dopamine receptor was determined by using [3H]-SCH- 23390 as radioligand


Bioorg Med Chem Lett 14: 4379-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.078
BindingDB Entry DOI: 10.7270/Q2NZ88DW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50370414
PNG
(CHEMBL611207 | MESORIDAZINE)
Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O
Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1
KEGG

UniProtKB/SwissProt

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CHEBI
CHEMBL
KEGG
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UniChem

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Article
PubMed
1.96E+3n/an/an/an/an/an/an/an/a



Brigham& Women's Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards human D1 dopamine receptor was determined by using [3H]-SCH- 23390 as radioligand


Bioorg Med Chem Lett 14: 4379-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.078
BindingDB Entry DOI: 10.7270/Q2NZ88DW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50370414
PNG
(CHEMBL611207 | MESORIDAZINE)
Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O
Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.96E+3n/an/an/an/an/an/an/an/a



Brigham& Women's Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards human D1 dopamine receptor was determined by using [3H]-SCH- 23390 as radioligand


Bioorg Med Chem Lett 14: 4379-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.078
BindingDB Entry DOI: 10.7270/Q2NZ88DW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50370414
PNG
(CHEMBL611207 | MESORIDAZINE)
Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O
Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Brigham& Women's Hospital

Curated by ChEMBL


Assay Description
Antgonism of D1 dopamine receptor of human was determined in C6D1 low-density cells by using cyclic AMP assay


Bioorg Med Chem Lett 14: 4379-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.078
BindingDB Entry DOI: 10.7270/Q2NZ88DW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50370414
PNG
(CHEMBL611207 | MESORIDAZINE)
Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O
Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a



Brigham& Women's Hospital

Curated by ChEMBL


Assay Description
Antgonism of D1 dopamine receptor of human was determined in C6D1 low-density cells by using cyclic AMP assay


Bioorg Med Chem Lett 14: 4379-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.078
BindingDB Entry DOI: 10.7270/Q2NZ88DW
More data for this
Ligand-Target Pair