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BDBM50103333 4-(5-{[1-(2-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylamino]-methyl}-imidazol-1-ylmethyl)-benzonitrile::CHEMBL99381

SMILES: Clc1ccccc1N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O

InChI Key: InChIKey=DLASOUKHRBZNDA-FQEVSTJZSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50103333   
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))
BDBM50103333
PNG
(4-(5-{[1-(2-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-3-1-2-4-21(19)28-10-9-20(22(28)29)26-13-18-12-25-15-27(18)14-17-7-5-16(11-24)6-8-17/h1-8,12,15,20,26H,9-10,13-14H2/t20-/m0/s1
PDB
MMDB

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KEGG

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PC cid
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Similars

PubMed
n/an/a 4.20E+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))
BDBM50103333
PNG
(4-(5-{[1-(2-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-3-1-2-4-21(19)28-10-9-20(22(28)29)26-13-18-12-25-15-27(18)14-17-7-5-16(11-24)6-8-17/h1-8,12,15,20,26H,9-10,13-14H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.5n/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))
BDBM50103333
PNG
(4-(5-{[1-(2-Chloro-phenyl)-2-oxo-pyrrolidin-3-ylam...)
Show SMILES Clc1ccccc1N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-3-1-2-4-21(19)28-10-9-20(22(28)29)26-13-18-12-25-15-27(18)14-17-7-5-16(11-24)6-8-17/h1-8,12,15,20,26H,9-10,13-14H2/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 14n/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