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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor (L1196M)' and Ligand = 'BDBM175253'   
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
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM175253
PNG
(US9115140, I-131)
Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cc(F)c(cc3OC(C)C)C3CCN(C)CC3)nc12)C(N)=O
Show InChI InChI=1S/C28H31FN6O3S/c1-15(2)38-21-12-18(16-7-10-35(3)11-8-16)19(29)13-20(21)33-28-32-14-22-24(34-28)23(25(39-22)26(30)36)17-6-5-9-31-27(17)37-4/h5-6,9,12-16H,7-8,10-11H2,1-4H3,(H2,30,36)(H,32,33,34)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....


US Patent US9115140 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BFX
More data for this
Ligand-Target Pair