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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 = 'BDBM50139190'   
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))
BDBM50139190
PNG
(4-propyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)
Show SMILES CCCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C26H27N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h4-7,10-11,13,18H,2-3,8-9,14-17H2,1H3
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PubMed
n/an/a 0.310n/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))
BDBM50139190
PNG
(4-propyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...)
Show SMILES CCCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C26H27N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h4-7,10-11,13,18H,2-3,8-9,14-17H2,1H3
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 0.440n/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