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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 = 'BDBM50083595'   
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)


(Bos taurus (bovine))
BDBM50083595
PNG
(3-[3-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES N[C@@H](CS)CNc1cccc(Oc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-4-2-6-15(8-13)21-14-5-1-3-11(7-14)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Farnesyltransferase in vitro.


Bioorg Med Chem Lett 9: 3301-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q52NT7
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50083595
PNG
(3-[3-((R)-2-Amino-3-mercapto-propylamino)-phenoxy]...)
Show SMILES N[C@@H](CS)CNc1cccc(Oc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C16H18N2O3S/c17-12(10-22)9-18-13-4-2-6-15(8-13)21-14-5-1-3-11(7-14)16(19)20/h1-8,12,18,22H,9-10,17H2,(H,19,20)/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 ...


Bioorg Med Chem Lett 7: 1345-1348 (1997)


Article DOI: 10.1016/S0960-894X(97)00225-4
BindingDB Entry DOI: 10.7270/Q28W3D96
More data for this
Ligand-Target Pair