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BDBM50442117 CHEMBL2441088

SMILES: COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3nnc(n3-c3ccc(Cl)cc23)C(F)(F)F)c1OC

InChI Key: InChIKey=MHNXCSOGTDQEAW-WOJBJXKFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50442117   
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)		BDBM50442117
PNG
(CHEMBL2441088)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3nnc(n3-c3ccc(Cl)cc23)C(F)(F)F)c1OC |r|
Show InChI InChI=1S/C25H21ClF3N5O5/c1-37-18-5-3-4-15(21(18)38-2)20-16-10-14(26)6-7-17(16)34-22(31-32-24(34)25(27,28)29)19(39-20)8-9-33-12-13(11-30-33)23(35)36/h3-7,10-12,19-20H,8-9H2,1-2H3,(H,35,36)/t19-,20-/m1/s1
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Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat hepatic microsomal squalene synthase using [3H]FPP as substrate after by scintillation spectrophotometry

ACS Med Chem Lett 4: 932-6 (2013)


Article DOI: 10.1021/ml400151c
BindingDB Entry DOI: 10.7270/Q2J67JCV
More data for this
Ligand-Target Pair