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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [695-1022,T790M,C797S,L858R]' and Ligand = 'BDBM525500'   
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 [695-1022,T790M,C797S,L858R]


(Homo sapiens (Human))
BDBM525500
PNG
(US11174245, # I-161)
Show SMILES Cc1cccc(c1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:25.28,28.32,(4.06,-3.07,;4.83,-1.74,;6.37,-1.74,;7.14,-.4,;6.37,.93,;4.83,.93,;4.06,-.4,;4.06,2.26,;2.52,2.26,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;.21,3.6,;-.56,4.93,;-.56,2.26,;-2.1,2.26,;-3.01,3.51,;-4.47,3.03,;-5.8,3.8,;-7.14,3.03,;-7.14,1.49,;-5.8,.72,;-4.47,1.49,;-3.01,1.02,;-2.61,-.47,;-3.7,-1.56,;-3.3,-3.05,;-1.81,-3.44,;-1.41,-4.93,;-.72,-2.36,;-1.12,-.87,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
5 μL of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MP56F9
More data for this
Ligand-Target Pair