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SMILES: CSc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1

InChI Key: InChIKey=BZIHDTKDCIILSI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150139   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50150139
PNG
(2-[4-(2-Methylsulfanyl-phenyl)-piperazin-1-ylmethy...)
Show SMILES CSc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C19H22N4S/c1-24-18-9-5-4-8-17(18)23-12-10-22(11-13-23)14-19-20-15-6-2-3-7-16(15)21-19/h2-9H,10-14H2,1H3,(H,20,21)
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PC cid
PC sid
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Article
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n/an/an/an/a 86n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro EC50 tested on HEK293 cells co-transfected with human Dopamine receptor D4.4 using FLIPR assay

J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair