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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 = 'BDBM50135367'   
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))
BDBM50135367
PNG
(5-Benzo[1,3]dioxol-5-yl-6-[(4-cyano-phenyl)-(3-met...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc2OCOc2c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H21N5O4/c1-31-15-30-13-22(31)26(18-5-3-17(11-28)4-6-18)34-14-23-21(9-20(12-29)27(33)32(23)2)19-7-8-24-25(10-19)36-16-35-24/h3-10,13,15,26H,14,16H2,1-2H3
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PC cid
PC sid
UniChem
PubMed
n/an/a 0.420n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135367
PNG
(5-Benzo[1,3]dioxol-5-yl-6-[(4-cyano-phenyl)-(3-met...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc2OCOc2c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H21N5O4/c1-31-15-30-13-22(31)26(18-5-3-17(11-28)4-6-18)34-14-23-21(9-20(12-29)27(33)32(23)2)19-7-8-24-25(10-19)36-16-35-24/h3-10,13,15,26H,14,16H2,1-2H3
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 2.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair