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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.4
BDBM206918

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
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206918
PNG
(US9233965, 1)
Show SMILES CC(C)(C)NC(=O)N1CCn2cc(c(C(N)=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C19H24N4O2/c1-19(2,3)21-18(25)23-10-9-22-11-14(13-7-5-4-6-8-13)16(17(20)24)15(22)12-23/h4-8,11H,9-10,12H2,1-3H3,(H2,20,24)(H,21,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/an/an/an/a7.525



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair