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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor(L858R, T790M)' and Ligand = 'BDBM316994'   
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
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM316994
PNG
(N-[2,4-Difluoro-3-(4- isopropylamino-7H- pyrrolo[2...)
Show SMILES CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(C)cc(C)c4)c3F)c12
Show InChI InChI=1S/C24H23F2N5O3S/c1-12(2)30-24-19-16(10-27-23(19)28-11-29-24)22(32)20-17(25)5-6-18(21(20)26)31-35(33,34)15-8-13(3)7-14(4)9-15/h5-12,31H,1-4H3,(H2,27,28,29,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair