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BDBM13370 (2S)-2-[(2R)-3-(4-hydroxy-2,5-dimethylphenyl)-2-[(2S)-2-[(2R)-2-formamido-3-sulfanylpropanamido]-3-methylbutanamido]propanamido]-4-(methylsulfanyl)butanoic acid::CAAX Analogue 13::Compound XIII

SMILES: CSCC[C@H](NC(=O)[C@@H](Cc1cc(C)c(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC=O)C(C)C)C(O)=O

InChI Key: InChIKey=FMCAFXHLMUOIGG-JTJHWIPRSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13370   
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


(Bos taurus (bovine))
BDBM13370
PNG
((2S)-2-[(2R)-3-(4-hydroxy-2,5-dimethylphenyl)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1cc(C)c(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC=O)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H38N4O7S2/c1-13(2)21(29-23(33)19(11-37)26-12-30)24(34)28-18(10-16-8-15(4)20(31)9-14(16)3)22(32)27-17(25(35)36)6-7-38-5/h8-9,12-13,17-19,21,31,37H,6-7,10-11H2,1-5H3,(H,26,30)(H,27,32)(H,28,34)(H,29,33)(H,35,36)/t17-,18+,19-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+4n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair