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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dimer of Protein farnesyltransferase subunit beta' and Ligand = 'BDBM50103316'   
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
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50103316
PNG
(4-(5-{[1-(4-Chloro-benzyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)cc1
Show InChI InChI=1S/C23H22ClN5O/c24-20-7-5-19(6-8-20)14-28-10-9-22(23(28)30)27-13-21-12-26-16-29(21)15-18-3-1-17(11-25)2-4-18/h1-8,12,16,22,27H,9-10,13-15H2/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase using purified recombinant human enzyme


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50103316
PNG
(4-(5-{[1-(4-Chloro-benzyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)cc1
Show InChI InChI=1S/C23H22ClN5O/c24-20-7-5-19(6-8-20)14-28-10-9-22(23(28)30)27-13-21-12-26-16-29(21)15-18-3-1-17(11-25)2-4-18/h1-8,12,16,22,27H,9-10,13-15H2/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair