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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 354.3
BDBM50237266

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237266
PNG
(CHEMBL4097026)
Show SMILES O=c1c(nc2ccccc2n1Cc1ccccc1)-c1ccc2nonc2c1
Show InChI InChI=1S/C21H14N4O2/c26-21-20(15-10-11-16-18(12-15)24-27-23-16)22-17-8-4-5-9-19(17)25(21)13-14-6-2-1-3-7-14/h1-12H,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 18n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair