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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50109954'   
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


(BOVINE)
BDBM50109954
PNG
((3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyr...)
Show SMILES OCc1ccc2c(CN3CCN(CC3)c3ccc(Cl)cc3)cnn2c1
Show InChI InChI=1S/C19H21ClN4O/c20-17-2-4-18(5-3-17)23-9-7-22(8-10-23)13-16-11-21-24-12-15(14-25)1-6-19(16)24/h1-6,11-12,25H,7-10,13-14H2
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D1 stably expressed in CHO cells by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 12: 633-6 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair