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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 647.7
BDBM644727

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))
BDBM644727
PNG
(Preparation of 12,12,18-trimethyl-8-(3-{2-[1-(trif...)
Show SMILES CN1CCCC2CN(c3nc(ccc3C(=O)NS(=O)(=O)c3ccc1nc3)-n1ccc(OCCC3(CC3)C(F)(F)F)n1)C(C)(C)C2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<1.00E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair