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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50076042'   
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


(Homo sapiens (Human))		BDBM50076042
PNG
((S)-2-({(3S,6S,9aS)-6-[(S)-2-(9H-Fluoren-9-ylmetho...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@@H](CS)NC(=O)OCC3c4ccccc4-c4ccccc34)C(=O)N12)C(O)=O
Show InChI InChI=1S/C33H40N4O7S2/c1-46-16-15-26(32(41)42)35-30(39)28-14-13-19-7-6-12-25(31(40)37(19)28)34-29(38)27(18-45)36-33(43)44-17-24-22-10-4-2-8-20(22)21-9-3-5-11-23(21)24/h2-5,8-11,19,24-28,45H,6-7,12-18H2,1H3,(H,34,38)(H,35,39)(H,36,43)(H,41,42)/t19-,25-,26-,27+,28-/m0/s1
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Similars
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Cold Spring Harbor Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for concentration that caused 50% inhibition of yeast Farnesyltransferase (expressed as a GST fusion protein in E. coli)

Bioorg Med Chem Lett 9: 847-52 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43KZ
More data for this
Ligand-Target Pair