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BDBM50103352 (S)-4-((5-((2-oxo-1-(quinolin-5-yl)pyrrolidin-3-ylamino)methyl)-1H-imidazol-1-yl)methyl)benzonitrile::4-{5-[(2-Oxo-1-quinolin-5-yl-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile::CHEMBL100566

SMILES: O=C1[C@H](CCN1c1cccc2ncccc12)NCc1cncn1Cc1ccc(cc1)C#N

InChI Key: InChIKey=BRCCXAUQKZKZAB-QHCPKHFHSA-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 = 50103352   
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
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50103352
PNG
((S)-4-((5-((2-oxo-1-(quinolin-5-yl)pyrrolidin-3-yl...)
Show SMILES O=C1[C@H](CCN1c1cccc2ncccc12)NCc1cncn1Cc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H22N6O/c26-13-18-6-8-19(9-7-18)16-30-17-27-14-20(30)15-29-23-10-12-31(25(23)32)24-5-1-4-22-21(24)3-2-11-28-22/h1-9,11,14,17,23,29H,10,12,15-16H2/t23-/m0/s1
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n/an/a>2.00E+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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50103352
PNG
((S)-4-((5-((2-oxo-1-(quinolin-5-yl)pyrrolidin-3-yl...)
Show SMILES O=C1[C@H](CCN1c1cccc2ncccc12)NCc1cncn1Cc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H22N6O/c26-13-18-6-8-19(9-7-18)16-30-17-27-14-20(30)15-29-23-10-12-31(25(23)32)24-5-1-4-22-21(24)3-2-11-28-22/h1-9,11,14,17,23,29H,10,12,15-16H2/t23-/m0/s1
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Article
PubMed
n/an/a 8.20E+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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103352
PNG
((S)-4-((5-((2-oxo-1-(quinolin-5-yl)pyrrolidin-3-yl...)
Show SMILES O=C1[C@H](CCN1c1cccc2ncccc12)NCc1cncn1Cc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H22N6O/c26-13-18-6-8-19(9-7-18)16-30-17-27-14-20(30)15-29-23-10-12-31(25(23)32)24-5-1-4-22-21(24)3-2-11-28-22/h1-9,11,14,17,23,29H,10,12,15-16H2/t23-/m0/s1
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n/an/a 10n/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103352
PNG
((S)-4-((5-((2-oxo-1-(quinolin-5-yl)pyrrolidin-3-yl...)
Show SMILES O=C1[C@H](CCN1c1cccc2ncccc12)NCc1cncn1Cc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H22N6O/c26-13-18-6-8-19(9-7-18)16-30-17-27-14-20(30)15-29-23-10-12-31(25(23)32)24-5-1-4-22-21(24)3-2-11-28-22/h1-9,11,14,17,23,29H,10,12,15-16H2/t23-/m0/s1
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PC sid
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PubMed
n/an/a 9.5n/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