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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50090830'   
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))
BDBM50090830
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
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KEGG

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
854n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for agonist binding affinity by measuring displacement of [3H]NPA from Human Dopamine receptor D2L expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair