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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 = 'BDBM50069040'   
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))		BDBM50069040
PNG
(CHEMBL161899 | N-[4-((7R,9aS)-2-Pyrimidin-2-yl-oct...)
Show SMILES CC(=O)Nc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1
Show InChI InChI=1S/C21H27N5O2/c1-16(27)24-18-4-7-20(8-5-18)28-15-17-3-6-19-14-26(12-11-25(19)13-17)21-22-9-2-10-23-21/h2,4-5,7-10,17,19H,3,6,11-15H2,1H3,(H,24,27)/t17-,19+/m1/s1
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PubMed
 948n/an/an/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement.

Bioorg Med Chem Lett 8: 725-30 (1999)


BindingDB Entry DOI: 10.7270/Q29Z941K
More data for this
Ligand-Target Pair