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BDBM50034053 1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propylsulfanyl}-3-methoxy-phenyl)-ethanone::CHEMBL273633

SMILES: COc1cc(ccc1SCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O

InChI Key: InChIKey=LMFSAUMXPCITAG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50034053   
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(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50034053
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1SCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O3S/c1-16(28)18-4-7-23(22(14-18)29-2)31-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-21(20)30-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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n/an/a 571n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Affinity for dopamine receptor D2 binding sites by its ability to displace [3H]spiperone from rat striatum.

J Med Chem 38: 1119-31 (1995)


BindingDB Entry DOI: 10.7270/Q2S75H08
More data for this
Ligand-Target Pair