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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50038090   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Squalene synthase


(Rattus norvegicus)		BDBM50038090
PNG
((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Show SMILES CC[C@H](C)C[C@H](C)CCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
Show InChI InChI=1S/C35H50O13/c1-7-20(2)18-21(3)12-11-17-45-28-27(37)33(47-29(30(38)39)34(44,31(40)41)35(28,48-33)32(42)43)16-15-22(4)26(46-24(6)36)23(5)19-25-13-9-8-10-14-25/h8-10,13-14,20-21,23,26-29,37,44H,4,7,11-12,15-19H2,1-3,5-6H3,(H,38,39)(H,40,41)(H,42,43)/t20-,21+,23+,26+,27+,28+,29?,33?,34?,35?/m0/s1
PDB
MMDB

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Similars
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against squalene synthase enzyme in rat liver

J Med Chem 37: 4031-51 (1994)


BindingDB Entry DOI: 10.7270/Q2PC31F0
More data for this
Ligand-Target Pair