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SMILES: Cn1cc(cn1)-c1cc(cc(n1)C#N)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@@H]1CC[C@H](O)CC1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 525492   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor [695-1022]


(Homo sapiens (Human))
BDBM525492
PNG
(US11174245, # I-145)
Show SMILES Cn1cc(cn1)-c1cc(cc(n1)C#N)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:33.37,36.41,(8.41,-4.31,;8.41,-2.77,;7.17,-1.87,;7.64,-.4,;9.18,-.4,;9.66,-1.87,;6.87,.93,;5.33,.93,;4.56,2.26,;5.33,3.6,;6.87,3.6,;7.64,2.26,;7.64,4.93,;8.41,6.27,;3.02,2.26,;2.25,3.6,;2.25,.93,;.71,.93,;-.19,2.18,;-1.66,1.7,;-2.99,2.47,;-4.32,1.7,;-5.66,2.47,;-6.99,1.7,;-8.33,2.47,;-9.66,1.7,;-9.66,.16,;-8.33,-.61,;-6.99,.16,;-4.32,.16,;-2.99,-.61,;-1.66,.16,;-.19,-.32,;.21,-1.8,;-.88,-2.89,;-.48,-4.38,;1,-4.78,;1.4,-6.27,;2.09,-3.69,;1.69,-2.2,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 397n/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
Epidermal growth factor receptor [695-1022,T790M,C797S,L858R]


(Homo sapiens (Human))
BDBM525492
PNG
(US11174245, # I-145)
Show SMILES Cn1cc(cn1)-c1cc(cc(n1)C#N)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:33.37,36.41,(8.41,-4.31,;8.41,-2.77,;7.17,-1.87,;7.64,-.4,;9.18,-.4,;9.66,-1.87,;6.87,.93,;5.33,.93,;4.56,2.26,;5.33,3.6,;6.87,3.6,;7.64,2.26,;7.64,4.93,;8.41,6.27,;3.02,2.26,;2.25,3.6,;2.25,.93,;.71,.93,;-.19,2.18,;-1.66,1.7,;-2.99,2.47,;-4.32,1.7,;-5.66,2.47,;-6.99,1.7,;-8.33,2.47,;-9.66,1.7,;-9.66,.16,;-8.33,-.61,;-6.99,.16,;-4.32,.16,;-2.99,-.61,;-1.66,.16,;-.19,-.32,;.21,-1.8,;-.88,-2.89,;-.48,-4.38,;1,-4.78,;1.4,-6.27,;2.09,-3.69,;1.69,-2.2,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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