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BDBM50114321 (S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propionylamino)-3-methyl-butyrylamino]-3-(4-isobutyryloxy-phenyl)-propionic acid methyl ester::CHEMBL40483

SMILES: COC(=O)[C@H](Cc1ccc(OC(=O)C(C)C)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C

InChI Key: InChIKey=SPEPBCZUCCQTTQ-BZSNNMDCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50114321   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50114321
PNG
((S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propionylamin...)
Show SMILES COC(=O)[C@H](Cc1ccc(OC(=O)C(C)C)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C
Show InChI InChI=1S/C22H33N3O6S/c1-12(2)18(25-19(26)16(23)11-32)20(27)24-17(22(29)30-5)10-14-6-8-15(9-7-14)31-21(28)13(3)4/h6-9,12-13,16-18,32H,10-11,23H2,1-5H3,(H,24,27)(H,25,26)/t16-,17-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Department of Chemistry and School of Molecular Science(BK21)

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine Farnesyltrasferase.


Bioorg Med Chem Lett 12: 1599-602 (2002)


Article DOI: 10.1016/s0960-894x(02)00227-5
BindingDB Entry DOI: 10.7270/Q24B30MH
More data for this
Ligand-Target Pair