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BDBM50075865 (S)-2-[(5-{2-[(E)-4-(Cyclohexyl-hydroxy-methyl)-pyridin-3-yl]-vinyl}-2'-methyl-biphenyl-2-carbonyl)-amino]-4-methylsulfanyl-butyric acid::CHEMBL352208

SMILES: CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(O)C2CCCCC2)cc1-c1ccccc1C)C(O)=O

InChI Key: InChIKey=JGIGBEKDNKBDDC-KZGYZUDHSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075865   
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
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075865
PNG
((S)-2-[(5-{2-[(E)-4-(Cyclohexyl-hydroxy-methyl)-py...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(O)C2CCCCC2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H38N2O4S/c1-22-8-6-7-11-26(22)29-20-23(13-15-28(29)32(37)35-30(33(38)39)17-19-40-2)12-14-25-21-34-18-16-27(25)31(36)24-9-4-3-5-10-24/h6-8,11-16,18,20-21,24,30-31,36H,3-5,9-10,17,19H2,1-2H3,(H,35,37)(H,38,39)/b14-12+/t30-,31?/m0/s1
PDB
MMDB

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PubMed
n/an/a 0.540n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair