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BDBM50052347 3-(Biphenyl-4-sulfinylmethyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL101283

SMILES: OC1(CS(=O)c2ccc(cc2)-c2ccccc2)CN2CCC1CC2

InChI Key: InChIKey=QMSCSKLVZKGITR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052347   
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
Squalene synthetase


(Rattus norvegicus)		BDBM50052347
PNG
(3-(Biphenyl-4-sulfinylmethyl)-1-aza-bicyclo[2.2.2]...)
Show SMILES OC1(CS(=O)c2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:22.23:20.19,0:1:22.23:20.19,(12.09,-7.87,;11.74,-9.65,;13.28,-9.65,;14.12,-10.94,;13.23,-12.58,;15.68,-10.84,;16.49,-12.13,;18.05,-12.06,;18.73,-10.66,;17.89,-9.37,;16.35,-9.47,;20.26,-10.58,;20.96,-9.19,;22.5,-9.09,;23.36,-10.38,;22.66,-11.78,;21.12,-11.87,;12.05,-11.15,;10.56,-10.47,;8.88,-11.18,;8.67,-9.68,;10.28,-8.99,;10.28,-7.13,;10.84,-8.41,)|
Show InChI InChI=1S/C20H23NO2S/c22-20(14-21-12-10-18(20)11-13-21)15-24(23)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2
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Article
PubMed
n/an/a>2.50E+3n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition against rat microsomal squalene synthase (SS)

J Med Chem 39: 2971-9 (1996)


Article DOI: 10.1021/jm950907l
BindingDB Entry DOI: 10.7270/Q24J0D7G
More data for this
Ligand-Target Pair