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Compile Data Set for Download or QSAR

Found 1990 hits with Last Name = 'moosmayer' and Initial = 'd'   
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 [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555110
PNG
(3-[(3-fluorophenyl)amino]-2-[3-(2-hydroxy-2-methyl...)
Show SMILES CC(C)(O)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1
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n/an/a<0.0720n/an/an/an/an/an/a


TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555112
PNG
(3-[(3-fluorophenyl)amino]-2-[3-(2-methoxy-2-methyl...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555116
PNG
(3-[(3,5-difluorophenyl)amino]-2-[3-(2-methoxy-2-me...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cc(F)cc(F)c1
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555115
PNG
(3-[(3,5-difluorophenyl)amino]-2-[3-(2-methoxyethox...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cc(F)cc(F)c1
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555118
PNG
(3-[(2-bromo-3-fluorophenyl)amino]-2-[3-(2-methoxye...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1Br
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n/an/a 0.0860n/an/an/an/an/an/a


TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555136
PNG
(3-[(3,5-difluoro-2-methoxyphenyl)amino]-2-[3-(2-me...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cc(F)cc(F)c1OC
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n/an/a 0.0970n/an/an/an/an/an/a


TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555137
PNG
(3-[(3,5-difluoro-2-methoxyphenyl)amino]-2-[3-(2-me...)
Show SMILES COc1c(F)cc(F)cc1Nc1c([nH]c2CCNC(=O)c12)-c1ccncc1OCC(C)(C)OC
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n/an/a 0.0990n/an/an/an/an/an/a


TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555123
PNG
(3-[(3-fluoro-2-methoxyphenyl)amino]-2-[3-(2-methox...)
Show SMILES COc1c(F)cccc1Nc1c([nH]c2CCNC(=O)c12)-c1ccncc1OCC(C)(C)OC
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n/an/a 0.113n/an/an/an/an/an/a


TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555124
PNG
(3-{[2-(difluoromethoxy)-3-fluorophenyl]amino}-2-[3...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1OC(F)F
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n/an/a 0.120n/an/an/an/an/an/a


TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555110
PNG
(3-[(3-fluorophenyl)amino]-2-[3-(2-hydroxy-2-methyl...)
Show SMILES CC(C)(O)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1
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n/an/a 0.131n/an/an/an/an/an/a


TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555122
PNG
(3-[(3-fluoro-2-methoxyphenyl)amino]-2-[3-(2-methox...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1OC
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555127
PNG
(3-[(3-fluoro-2-methylphenyl)amino]-2-[3-(2-methoxy...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1C
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555126
PNG
(3-[(3-fluoro-2-methylphenyl)amino]-2-[3-(2-methoxy...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1C
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555125
PNG
(3-{[2-(difluoromethoxy)-3-fluorophenyl]amino}-2-[3...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1OC(F)F
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555137
PNG
(3-[(3,5-difluoro-2-methoxyphenyl)amino]-2-[3-(2-me...)
Show SMILES COc1c(F)cc(F)cc1Nc1c([nH]c2CCNC(=O)c12)-c1ccncc1OCC(C)(C)OC
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555128
PNG
(3-{[2-(2,2-difluoroethyl)-3-fluorophenyl]amino}-2-...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1CC(F)F
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555123
PNG
(3-[(3-fluoro-2-methoxyphenyl)amino]-2-[3-(2-methox...)
Show SMILES COc1c(F)cccc1Nc1c([nH]c2CCNC(=O)c12)-c1ccncc1OCC(C)(C)OC
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n/an/a 0.177n/an/an/an/an/an/a


TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555136
PNG
(3-[(3,5-difluoro-2-methoxyphenyl)amino]-2-[3-(2-me...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cc(F)cc(F)c1OC
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555122
PNG
(3-[(3-fluoro-2-methoxyphenyl)amino]-2-[3-(2-methox...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1OC
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555112
PNG
(3-[(3-fluorophenyl)amino]-2-[3-(2-methoxy-2-methyl...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555127
PNG
(3-[(3-fluoro-2-methylphenyl)amino]-2-[3-(2-methoxy...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1C
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555118
PNG
(3-[(2-bromo-3-fluorophenyl)amino]-2-[3-(2-methoxye...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1Br
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Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555117
PNG
(3-{[2-(difluoromethoxy)phenyl]amino}-2-[3-(2-metho...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1ccccc1OC(F)F
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Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555125
PNG
(3-{[2-(difluoromethoxy)-3-fluorophenyl]amino}-2-[3...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1OC(F)F
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Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555135
PNG
(3-[(3,4-difluoro-2-methoxyphenyl)amino]-2-[3-(2-me...)
Show SMILES COc1c(F)c(F)ccc1Nc1c([nH]c2CCNC(=O)c12)-c1ccncc1OCC(C)(C)OC
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Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555129
PNG
(3-{[2-(2,2-difluoroethyl)-3-fluorophenyl]amino}-2-...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1CC(F)F
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Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555132
PNG
(3-[(2-ethoxy-3-fluorophenyl)amino]-2-[3-(2-methoxy...)
Show SMILES CCOc1c(F)cccc1Nc1c([nH]c2CCNC(=O)c12)-c1ccncc1OCC(C)(C)OC
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n/an/a 0.268n/an/an/an/an/an/a


TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555103
PNG
(2-[3-(benzyloxy)pyridin-4-yl]-3-[(3-fluorophenyl)a...)
Show SMILES Fc1cccc(Nc2c([nH]c3CCNC(=O)c23)-c2ccncc2OCc2ccccc2)c1
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Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555124
PNG
(3-{[2-(difluoromethoxy)-3-fluorophenyl]amino}-2-[3...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1OC(F)F
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Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555128
PNG
(3-{[2-(2,2-difluoroethyl)-3-fluorophenyl]amino}-2-...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1CC(F)F
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555114
PNG
(3-[(3-fluorophenyl)amino]-2-(3-{[(2S)-1-methylpyrr...)
Show SMILES CN1CCC[C@H]1COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1 |r|
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555126
PNG
(3-[(3-fluoro-2-methylphenyl)amino]-2-[3-(2-methoxy...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1C
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555129
PNG
(3-{[2-(2,2-difluoroethyl)-3-fluorophenyl]amino}-2-...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1CC(F)F
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555121
PNG
(3-{[2-(2,2-difluoroethyl)phenyl]amino}-2-[3-(2-met...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1ccccc1CC(F)F
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555130
PNG
(3-[(3-fluoro-2-hydroxyphenyl)amino]-2-[3-(2-methox...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1O
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Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555130
PNG
(3-[(3-fluoro-2-hydroxyphenyl)amino]-2-[3-(2-methox...)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1O
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555113
PNG
(3-[(3-fluorophenyl)amino]-2-{3-[2-methyl-2-(morpho...)
Show SMILES CC(C)(COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1)N1CCOCC1
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555134
PNG
(US11339157, Example 28)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1ccc(F)c(F)c1OC
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555101
PNG
(2-[3-(2-methoxyethoxy)pyridin-4-yl]-3-(phenylamino...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1ccccc1
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555132
PNG
(3-[(2-ethoxy-3-fluorophenyl)amino]-2-[3-(2-methoxy...)
Show SMILES CCOc1c(F)cccc1Nc1c([nH]c2CCNC(=O)c12)-c1ccncc1OCC(C)(C)OC
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555131
PNG
(3-[(2-ethoxy-3-fluorophenyl)amino]-2-[3-(2-methoxy...)
Show SMILES CCOc1c(F)cccc1Nc1c([nH]c2CCNC(=O)c12)-c1ccncc1OCCOC
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555121
PNG
(3-{[2-(2,2-difluoroethyl)phenyl]amino}-2-[3-(2-met...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1ccccc1CC(F)F
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TBA

Assay Description
Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555111
PNG
(2-{3-[2-(dimethylamino)ethoxy]pyridin-4-yl}-3-[(3-...)
Show SMILES CN(C)CCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM459773
PNG
(3,3-dimethyl-2-{2-[(3R)-3-methylmorpholin-4-yl]-8-...)
Show SMILES C[C@@H]1COCCN1c1cc(c2ccnc(-c3ccn[nH]3)c2n1)C(C)(O)C(C)(C)C |r|
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...


J Med Chem 63: 7293-7325 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00369
BindingDB Entry DOI: 10.7270/Q29C71ZT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555133
PNG
(US11339157, Example 27)
Show SMILES COC(C)(C)COc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1OCC(F)F
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555120
PNG
(2-[3-(2-methoxyethoxy)pyridin-4-yl]-3-{[2-(trifluo...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1ccccc1OC(F)(F)F
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427326
PNG
(CHEMBL2325697)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...


J Med Chem 63: 7293-7325 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00369
BindingDB Entry DOI: 10.7270/Q29C71ZT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [669-770,'SVD',771-1210]


(Homo sapiens (Human))
BDBM555102
PNG
(2-[3-(3,3-dimethylbutoxy)pyridin-4-yl]-3-[(3-fluor...)
Show SMILES CC(C)(C)CCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1cccc(F)c1
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TBA

Assay Description
Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70K0Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM268208
PNG
(US10772893, Example 241 | US11529356, Example 241 ...)
Show SMILES C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM268208
PNG
(US10772893, Example 241 | US11529356, Example 241 ...)
Show SMILES C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 4.06n/an/an/an/an/an/a


TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
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