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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 = 'BDBM50126035'   
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))
BDBM50126035
PNG
(4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C31H20N4O/c1-35-21-34-20-30(35)31(36,16-15-22-9-11-23(18-32)12-10-22)26-14-13-25(19-33)29(17-26)28-8-4-6-24-5-2-3-7-27(24)28/h2-14,17,20-21,36H,1H3
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PC cid
PC sid
UniChem
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126035
PNG
(4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C31H20N4O/c1-35-21-34-20-30(35)31(36,16-15-22-9-11-23(18-32)12-10-22)26-14-13-25(19-33)29(17-26)28-8-4-6-24-5-2-3-7-27(24)28/h2-14,17,20-21,36H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 7.90n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of farnesylation in NIH-3T3H-ras cell line


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair