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BDBM50351093 CHEMBL1819579

SMILES: COc1ccccc1[C@@H](O)c1cc(Cl)cc(OCCC(C)(C)O)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O

InChI Key: InChIKey=FQINGGJEAGSQPJ-WKRVVKTRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50351093   
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)		BDBM50351093
PNG
(CHEMBL1819579)
Show SMILES COc1ccccc1[C@@H](O)c1cc(Cl)cc(OCCC(C)(C)O)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C1)C(O)=O
Show InChI InChI=1S/C34H47ClN2O8/c1-33(2,3)21-37(29(39)14-13-28(38)36-16-9-10-22(20-36)32(41)42)30-25(31(40)24-11-7-8-12-26(24)44-6)18-23(35)19-27(30)45-17-15-34(4,5)43/h7-8,11-12,18-19,22,31,40,43H,9-10,13-17,20-21H2,1-6H3,(H,41,42)/t22-,31+/m0/s1
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Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in Wistar Charles River rat assessed as formation of squalene using [3H]FPP as substrate after 20 mins by scintillati...

Bioorg Med Chem 19: 5207-24 (2011)


Article DOI: 10.1016/j.bmc.2011.07.007
BindingDB Entry DOI: 10.7270/Q28C9WNK
More data for this
Ligand-Target Pair