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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50092173'   
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))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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PubMed
27n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]NPA as radioligan...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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Article
PubMed
27n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
PDB

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PubMed
n/an/an/an/a 5.70n/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D2L by mitogenesis assay (intri...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair