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BDBM50126336 4-{[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3H-imidazol-4-ylmethyl)-amino]-methyl}-pyridine-2-carbonitrile::CHEMBL282959

SMILES: Cn1cncc1CN(Cc1ccnc(c1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12

InChI Key: InChIKey=UOFUHTKNEZKVSV-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50126336   
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
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50126336
PNG
(4-{[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3...)
Show SMILES Cn1cncc1CN(Cc1ccnc(c1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C29H22N6/c1-34-20-32-17-26(34)19-35(18-21-11-12-33-24(13-21)16-31)25-10-9-23(15-30)29(14-25)28-8-4-6-22-5-2-3-7-27(22)28/h2-14,17,20H,18-19H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.370n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyltransferase.


Bioorg Med Chem Lett 13: 1367-71 (2003)


BindingDB Entry DOI: 10.7270/Q20K27ZP
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50126336
PNG
(4-{[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3...)
Show SMILES Cn1cncc1CN(Cc1ccnc(c1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C29H22N6/c1-34-20-32-17-26(34)19-35(18-21-11-12-33-24(13-21)16-31)25-10-9-23(15-30)29(14-25)28-8-4-6-22-5-2-3-7-27(22)28/h2-14,17,20H,18-19H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 650n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against farnesyltransferase (FTase)


Bioorg Med Chem Lett 13: 1367-71 (2003)


BindingDB Entry DOI: 10.7270/Q20K27ZP
More data for this
Ligand-Target Pair