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BDBM50103327 4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-phenethyl-amino]-methyl}-imidazol-1-ylmethyl)-benzonitrile::CHEMBL318943

SMILES: O=C1[C@H](CCN1Cc1ccccc1)N(CCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N

InChI Key: InChIKey=NGWHQWBIMKMHDC-PMERELPUSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50103327   
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))
BDBM50103327
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-phenethyl-...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C31H31N5O/c32-19-26-11-13-28(14-12-26)22-36-24-33-20-29(36)23-34(17-15-25-7-3-1-4-8-25)30-16-18-35(31(30)37)21-27-9-5-2-6-10-27/h1-14,20,24,30H,15-18,21-23H2/t30-/m0/s1
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PubMed
n/an/a 1.50E+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))
BDBM50103327
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-phenethyl-...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C31H31N5O/c32-19-26-11-13-28(14-12-26)22-36-24-33-20-29(36)23-34(17-15-25-7-3-1-4-8-25)30-16-18-35(31(30)37)21-27-9-5-2-6-10-27/h1-14,20,24,30H,15-18,21-23H2/t30-/m0/s1
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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 460n/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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103327
PNG
(4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-phenethyl-...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(CCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C31H31N5O/c32-19-26-11-13-28(14-12-26)22-36-24-33-20-29(36)23-34(17-15-25-7-3-1-4-8-25)30-16-18-35(31(30)37)21-27-9-5-2-6-10-27/h1-14,20,24,30H,15-18,21-23H2/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 51n/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