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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM148447'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM148447
PNG
(US8962637, 178)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(cc3)N3CCNCC3)ncc2C1=O
Show InChI InChI=1S/C32H30F3N7O2/c1-20-5-6-24(38-29(43)21-3-2-4-22(17-21)32(33,34)35)18-28(20)42-14-11-27-26(30(42)44)19-37-31(40-27)39-23-7-9-25(10-8-23)41-15-12-36-13-16-41/h2-10,17-19,36H,11-16H2,1H3,(H,38,43)(H,37,39,40)
PDB
MMDB

KEGG

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PC cid
PC sid
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Similars

US Patent
n/an/a 17n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...


US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair