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BDBM50103354 (S)-4-((5-((1-benzyl-2-oxopyrrolidin-3-ylamino)methyl)-1H-imidazol-1-yl)methyl)benzonitrile::4-{5-[(1-Benzyl-2-oxo-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile::CHEMBL316502

SMILES: O=C1[C@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N

InChI Key: InChIKey=MRONYHYWJWVKKK-QFIPXVFZSA-N

Data: 4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50103354   
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))
BDBM50103354
PNG
((S)-4-((5-((1-benzyl-2-oxopyrrolidin-3-ylamino)met...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m0/s1
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PC sid
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PubMed
n/an/a 29n/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))
BDBM50103354
PNG
((S)-4-((5-((1-benzyl-2-oxopyrrolidin-3-ylamino)met...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m0/s1
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Article
PubMed
n/an/a 7.20E+3n/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
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50103354
PNG
((S)-4-((5-((1-benzyl-2-oxopyrrolidin-3-ylamino)met...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration of geranylgeranyl-protein transferase type I


J Med Chem 44: 2933-49 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RNW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103354
PNG
((S)-4-((5-((1-benzyl-2-oxopyrrolidin-3-ylamino)met...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H23N5O/c24-12-18-6-8-20(9-7-18)16-28-17-25-13-21(28)14-26-22-10-11-27(23(22)29)15-19-4-2-1-3-5-19/h1-9,13,17,22,26H,10-11,14-16H2/t22-/m0/s1
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PubMed
n/an/a 5.70n/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