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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50063278'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50063278
PNG
(CHEMBL165440 | {4-[2-(3,4-Dihydro-1H-isoquinolin-2...)
Show SMILES C(CN1CCc2ccccc2C1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:15.20,wD:12.13,(10.31,-5.42,;11.15,-6.7,;12.69,-6.63,;13.39,-5.25,;14.9,-5.18,;15.74,-6.44,;17.26,-6.35,;18.12,-7.61,;17.47,-9.01,;15.93,-9.12,;15.07,-7.84,;13.53,-7.91,;8.77,-5.49,;7.93,-4.2,;6.42,-4.27,;5.7,-5.65,;6.53,-6.93,;8.07,-6.86,;4.16,-5.72,;3.32,-4.41,;4.04,-3.06,;3.2,-1.76,;1.66,-1.83,;.96,-3.2,;1.8,-4.51,)|
Show InChI InChI=1S/C21H28N4/c1-2-5-19-16-25(15-11-18(19)4-1)14-10-17-6-8-20(9-7-17)24-21-22-12-3-13-23-21/h1-5,12-13,17,20H,6-11,14-16H2,(H,22,23,24)/t17-,20-
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells


J Med Chem 41: 760-71 (1998)


Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97
More data for this
Ligand-Target Pair