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SMILES: CC(C)CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CC(C)C)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O

InChI Key: InChIKey=ZXCUOCHXNYWBBG-ZQWQDMLBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058948   
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 synthase


(Rattus norvegicus)		BDBM50058948
PNG
((1S,2S,3S,4S)-3,4-Bis-[isobutyl-(4-phenoxy-benzyl)...)
Show SMILES CC(C)CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CC(C)C)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C42H46N2O8/c1-27(2)23-43(25-29-15-19-33(20-16-29)51-31-11-7-5-8-12-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(24-28(3)4)26-30-17-21-34(22-18-30)52-32-13-9-6-10-14-32/h5-22,27-28,35-38H,23-26H2,1-4H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Squalene Synthase

J Med Chem 40: 2123-5 (1997)


Article DOI: 10.1021/jm970058x
BindingDB Entry DOI: 10.7270/Q2V9875N
More data for this
Ligand-Target Pair