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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 = 'BDBM50103323'   
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))
BDBM50103323
PNG
(4-(5-{[1-(3-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1cccc(c1)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-18-2-1-3-19(10-18)28-9-8-21(22(28)29)26-13-20-12-25-15-27(20)14-17-6-4-16(11-24)5-7-17/h1-7,10,12,15,21,26H,8-9,13-14H2/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.40n/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))
BDBM50103323
PNG
(4-(5-{[1-(3-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1cccc(c1)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-18-2-1-3-19(10-18)28-9-8-21(22(28)29)26-13-20-12-25-15-27(20)14-17-6-4-16(11-24)5-7-17/h1-7,10,12,15,21,26H,8-9,13-14H2/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30n/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