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BDBM50103326 (S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(butyl)amino)methyl)-1H-imidazol-1-yl)methyl)benzonitrile::4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-butyl-amino]-methyl}-imidazol-1-ylmethyl)-benzonitrile::CHEMBL100415

SMILES: CCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O

InChI Key: InChIKey=AAXGNXOJOSOUQQ-SANMLTNESA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50103326   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103326
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(butyl)...)
Show SMILES CCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C27H31N5O/c1-2-3-14-30(26-13-15-31(27(26)33)18-23-7-5-4-6-8-23)20-25-17-29-21-32(25)19-24-11-9-22(16-28)10-12-24/h4-12,17,21,26H,2-3,13-15,18-20H2,1H3/t26-/m0/s1
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PC cid
PC sid
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PubMed
n/an/a 54n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50103326
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(butyl)...)
Show SMILES CCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C27H31N5O/c1-2-3-14-30(26-13-15-31(27(26)33)18-23-7-5-4-6-8-23)20-25-17-29-21-32(25)19-24-11-9-22(16-28)10-12-24/h4-12,17,21,26H,2-3,13-15,18-20H2,1H3/t26-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


J Med Chem 52: 4266-76 (2009)


Article DOI: 10.1021/jm900002x
BindingDB Entry DOI: 10.7270/Q2MK6DT2
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103326
PNG
((S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(butyl)...)
Show SMILES CCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C27H31N5O/c1-2-3-14-30(26-13-15-31(27(26)33)18-23-7-5-4-6-8-23)20-25-17-29-21-32(25)19-24-11-9-22(16-28)10-12-24/h4-12,17,21,26H,2-3,13-15,18-20H2,1H3/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 42n/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