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BDBM50103342 4-(5-{[Benzyl-(1-benzyl-2-oxo-pyrrolidin-3-yl)-amino]-methyl}-imidazol-1-ylmethyl)-benzonitrile::CHEMBL101708

SMILES: O=C1[C@H](CCN1Cc1ccccc1)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1ccccc1

InChI Key: InChIKey=GCCKPAUGIAPVNW-LJAQVGFWSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50103342   
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))
BDBM50103342
PNG
(4-(5-{[Benzyl-(1-benzyl-2-oxo-pyrrolidin-3-yl)-ami...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C30H29N5O/c31-17-24-11-13-27(14-12-24)21-35-23-32-18-28(35)22-34(20-26-9-5-2-6-10-26)29-15-16-33(30(29)36)19-25-7-3-1-4-8-25/h1-14,18,23,29H,15-16,19-22H2/t29-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50103342
PNG
(4-(5-{[Benzyl-(1-benzyl-2-oxo-pyrrolidin-3-yl)-ami...)
Show SMILES O=C1[C@H](CCN1Cc1ccccc1)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1ccccc1
Show InChI InChI=1S/C30H29N5O/c31-17-24-11-13-27(14-12-24)21-35-23-32-18-28(35)22-34(20-26-9-5-2-6-10-26)29-15-16-33(30(29)36)19-25-7-3-1-4-8-25/h1-14,18,23,29H,15-16,19-22H2/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 67n/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