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BDBM50034079 1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxy-phenyl)-propan-1-one::CHEMBL14163

SMILES: CCC(=O)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)c(OC)c1

InChI Key: InChIKey=NDYOGQKCYHHFLA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50034079   
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))		BDBM50034079
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES CCC(=O)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)c(OC)c1
Show InChI InChI=1S/C25H29FN2O4/c1-3-21(29)18-5-8-22(24(15-18)30-2)31-14-4-11-28-12-9-17(10-13-28)25-20-7-6-19(26)16-23(20)32-27-25/h5-8,15-17H,3-4,9-14H2,1-2H3
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n/an/a 135n/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