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BDBM50103340 4-{5-[2-(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-ethyl]-imidazol-1-ylmethyl}-benzonitrile::CHEMBL102107

SMILES: O=C1[C@H](CCN1CCc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N

InChI Key: InChIKey=ZFIIDVFVNVOHRN-DEOSSOPVSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50103340   
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))
BDBM50103340
PNG
(4-{5-[2-(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-e...)
Show SMILES O=C1[C@H](CCN1CCc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H27N5O/c26-16-21-6-8-22(9-7-21)18-30-19-27-17-23(30)10-13-28-24-12-15-29(25(24)31)14-11-20-4-2-1-3-5-20/h1-9,17,19,24,28H,10-15,18H2/t24-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.80E+3n/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))
BDBM50103340
PNG
(4-{5-[2-(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-e...)
Show SMILES O=C1[C@H](CCN1CCc1ccccc1)NCCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H27N5O/c26-16-21-6-8-22(9-7-21)18-30-19-27-17-23(30)10-13-28-24-12-15-29(25(24)31)14-11-20-4-2-1-3-5-20/h1-9,17,19,24,28H,10-15,18H2/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 240n/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