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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 = 'BDBM106462'   
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))		BDBM106462
PNG
(US8586579, 51)
Show SMILES O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.7,wD:10.11,(5.88,-.92,;6.65,.41,;8.19,.41,;8.96,1.75,;10.29,2.52,;8.96,3.29,;5.88,1.75,;4.34,1.75,;3.57,.41,;2.03,.41,;1.26,1.75,;-.28,1.75,;-1.05,.41,;-2.59,.41,;-3.36,-.92,;-4.9,-.92,;-5.67,.41,;-4.9,1.75,;-3.36,1.75,;-7.21,.41,;-7.98,1.75,;-9.52,1.75,;-10.29,.41,;-9.52,-.92,;-10,-2.38,;-8.75,-3.29,;-7.51,-2.38,;-7.98,-.92,;2.03,3.08,;3.57,3.08,)|
Show InChI InChI=1S/C24H36N4O2/c29-23(17-19-1-2-19)26-20-5-3-18(4-6-20)8-11-27-12-14-28(15-13-27)24-21-9-16-30-22(21)7-10-25-24/h7,10,18-20H,1-6,8-9,11-17H2,(H,26,29)/t18-,20-
PDB

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PC cid
PC sid
UniChem

Similars
US Patent
 5.07n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...

US Patent US8586579 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K55
More data for this
Ligand-Target Pair