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SMILES: CC(=O)N1CCC(CC1)c1ccc2n([C@@H]3CC[C@H](O)CC3)\c(=N\C(=O)c3cc(nc(c3)-c3cnn(C)c3)C#N)[nH]c2c1

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 = 525524   
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))
BDBM525524
PNG
(US11174245, # I-202)
Show SMILES CC(=O)N1CCC(CC1)c1ccc2n([C@@H]3CC[C@H](O)CC3)\c(=N\C(=O)c3cc(nc(c3)-c3cnn(C)c3)C#N)[nH]c2c1 |r,wU:14.14,17.18,(-10.33,3.98,;-8.99,4.75,;-8.99,6.29,;-7.66,3.98,;-6.32,4.75,;-4.99,3.98,;-4.99,2.44,;-6.32,1.67,;-7.66,2.44,;-3.66,1.67,;-3.66,.13,;-2.32,-.64,;-.99,.13,;.47,-.34,;.87,-1.83,;-.22,-2.92,;.18,-4.41,;1.67,-4.81,;2.07,-6.29,;2.76,-3.72,;2.36,-2.23,;1.38,.9,;2.92,.9,;3.69,2.24,;2.92,3.57,;5.23,2.24,;6,3.57,;7.54,3.57,;8.31,2.24,;7.54,.9,;6,.9,;8.31,-.43,;9.85,-.43,;10.33,-1.9,;9.08,-2.8,;9.08,-4.34,;7.83,-1.9,;8.31,4.9,;9.08,6.24,;.47,2.15,;-.99,1.67,;-2.32,2.44,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 173n/an/an/an/an/an/a


TBA



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))
BDBM525524
PNG
(US11174245, # I-202)
Show SMILES CC(=O)N1CCC(CC1)c1ccc2n([C@@H]3CC[C@H](O)CC3)\c(=N\C(=O)c3cc(nc(c3)-c3cnn(C)c3)C#N)[nH]c2c1 |r,wU:14.14,17.18,(-10.33,3.98,;-8.99,4.75,;-8.99,6.29,;-7.66,3.98,;-6.32,4.75,;-4.99,3.98,;-4.99,2.44,;-6.32,1.67,;-7.66,2.44,;-3.66,1.67,;-3.66,.13,;-2.32,-.64,;-.99,.13,;.47,-.34,;.87,-1.83,;-.22,-2.92,;.18,-4.41,;1.67,-4.81,;2.07,-6.29,;2.76,-3.72,;2.36,-2.23,;1.38,.9,;2.92,.9,;3.69,2.24,;2.92,3.57,;5.23,2.24,;6,3.57,;7.54,3.57,;8.31,2.24,;7.54,.9,;6,.9,;8.31,-.43,;9.85,-.43,;10.33,-1.9,;9.08,-2.8,;9.08,-4.34,;7.83,-1.9,;8.31,4.9,;9.08,6.24,;.47,2.15,;-.99,1.67,;-2.32,2.44,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.900n/an/an/an/an/an/a


TBA



Citation and Details

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