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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 10714   
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 [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561447
PNG
(US11390625, Compound 20 | US11390625, Example 20)
Show SMILES COc1cc(N2CCC3(CN(CCN(C)C)C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

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UniChem
US Patent
n/an/a<0.0510n/an/an/an/an/an/a


TBA

Assay Description
TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561449
PNG
(US11390625, Compound 23 | US11390625, Example 23)
Show SMILES COc1cc(N2CCC3(CN(C)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

UniProtKB/SwissProt

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n/an/a 0.0520n/an/an/an/an/an/a


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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM561454
PNG
(US11390625, Compound 34 | US11390625, Example 34)
Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
PDB

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UniChem
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n/an/a 0.160n/an/an/an/an/an/a


TBA

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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM561456
PNG
(US11390625, Compound 44 | US11390625, Example 44)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
PDB

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n/an/a 0.210n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561455
PNG
(US11390625, Compound 41 | US11390625, Example 41)
Show SMILES CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(CC1)N1CCN(C)CC1
PDB

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n/an/a 0.212n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561454
PNG
(US11390625, Compound 34 | US11390625, Example 34)
Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
PDB

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n/an/a 0.218n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM561455
PNG
(US11390625, Compound 41 | US11390625, Example 41)
Show SMILES CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(CC1)N1CCN(C)CC1
PDB

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n/an/a 0.260n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561456
PNG
(US11390625, Compound 44 | US11390625, Example 44)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
PDB

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n/an/a 0.281n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561441
PNG
(US11390625, Compound 9 | US11390625, Example 9)
Show SMILES COc1cc(N2CCC3(CN(C)C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

UniProtKB/SwissProt

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n/an/a 0.485n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561443
PNG
(US11390625, Compound 16 | US11390625, Example 16)
Show SMILES COc1cc(N2CCC3(CN(C)C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3CCCc3c2P(C)(C)=O)n1
PDB

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n/an/a 0.491n/an/an/an/an/an/a


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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561437
PNG
(US11390625, Example 2)
Show SMILES COc1cc(N2CCC3(CN(C)C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3sccc3c2P(C)(C)=O)n1
PDB

UniProtKB/SwissProt

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n/an/a 0.613n/an/an/an/an/an/a


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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561451
PNG
(US11390625, Compound 26 | US11390625, Example 26)
Show SMILES COc1cc(N2CCC3(CN(C)C3)CC2)c(C)cc1Nc1ncc(C#N)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

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n/an/a 0.679n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561440
PNG
(US11390625, Compound 8 | US11390625, Example 8)
Show SMILES COc1cc(N2CCC3(CN(C)C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
PDB

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n/an/a 0.792n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561438
PNG
(US11390625, Compound 5 | US11390625, Example 5)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1)N1CCC2(CN(C)C2)CC1
PDB

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n/an/a 1.63n/an/an/an/an/an/a


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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561450
PNG
(US11390625, Compound 25 | US11390625, Example 25)
Show SMILES COc1cc(N2CCC3(CN(C)C3)CC2)c(C)cc1Nc1ncc(C2CC2)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

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n/an/a 1.79n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561439
PNG
(US11390625, Compound 6 | US11390625, Example 6)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
PDB

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n/an/a 2.54n/an/an/an/an/an/a


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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561436
PNG
(US11390625, Compound 1 | US11390625, Example 1)
Show SMILES COc1cc(N2CCC3(CCN(C)CC3)CC2)c(Cl)cc1Nc1ncc(Cl)c(Nc2ccc3sccc3c2P(C)(C)=O)n1
PDB

UniProtKB/SwissProt

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n/an/a 2.64n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM561455
PNG
(US11390625, Compound 41 | US11390625, Example 41)
Show SMILES CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(CC1)N1CCN(C)CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
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n/an/a 5.12n/an/an/an/an/an/a


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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561442
PNG
(US11390625, Compound 13 | US11390625, Example 13)
Show SMILES COc1cc(N2CCC3(CN(C)C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3cnn(C)c3c2P(C)(C)=O)n1
PDB

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n/an/a 5.79n/an/an/an/an/an/a


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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM561454
PNG
(US11390625, Compound 34 | US11390625, Example 34)
Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
UniChem
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n/an/a 7.92n/an/an/an/an/an/a


TBA

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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM561456
PNG
(US11390625, Compound 44 | US11390625, Example 44)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561446
PNG
(US11390625, Compound 19 | US11390625, Example 19)
Show SMILES COc1ccc(OCCNCc2cccnc2)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

UniProtKB/SwissProt

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n/an/a 12.9n/an/an/an/an/an/a


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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561445
PNG
(US11390625, Compound 18 | US11390625, Example 18)
Show SMILES COc1ccc(OCCNCc2cnccn2)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 25.3n/an/an/an/an/an/a


TBA

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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561448
PNG
(US11390625, Compound 21 | US11390625, Example 21)
Show SMILES COc1cc(N2CCC3(CN(CC(F)(F)F)C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

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n/an/a 30.6n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561453
PNG
(US11390625, Compound 29 | US11390625, Example 29)
Show SMILES COc1ccc(OCCNS(C)(=O)=O)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

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n/an/a 67.6n/an/an/an/an/an/a


TBA

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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561452
PNG
(US11390625, Compound 28 | US11390625, Example 28)
Show SMILES COc1ccc(OCCN2CCNC(=O)C2)cc1Nc1ncc(Cl)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

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n/an/a 185n/an/an/an/an/an/a


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TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM561444
PNG
(US11390625, Compound 17 | US11390625, Example 17)
Show SMILES COc1cc(N2CCC3(CN(C)C3)CC2)c(C)cc1Nc1ncc(OC(=O)N(C)C)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
PDB

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n/an/a 856n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RF2
More data for this
Ligand-Target Pair