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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein Farnesyltransferase (PFT)' and Ligand = 'BDBM50139202'   
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
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139202
PNG
(4-methyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)
Show SMILES Cc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C24H23N5O2/c1-17-2-5-22-9-20(17)13-28-7-6-27(15-24(28)30)14-21-11-26-16-29(21)12-18-3-4-19(10-25)23(8-18)31-22/h2-5,8-9,11,16H,6-7,12-15H2,1H3
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PubMed
n/an/a 0.260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139202
PNG
(4-methyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)
Show SMILES Cc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C24H23N5O2/c1-17-2-5-22-9-20(17)13-28-7-6-27(15-24(28)30)14-21-11-26-16-29(21)12-18-3-4-19(10-25)23(8-18)31-22/h2-5,8-9,11,16H,6-7,12-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.


Bioorg Med Chem Lett 14: 639-43 (2004)


BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair