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Compile Data Set for Download or QSAR

Found 2357 hits with Last Name = 'petersen' and Initial = 'k'   
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))		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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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))		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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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))		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))		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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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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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(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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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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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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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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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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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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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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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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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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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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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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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(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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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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n/an/a 0.634n/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
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]1,25-dihydroxyvitamin D3 from human VDR by HAP assay

J Med Chem 49: 7513-7 (2006)


Article DOI: 10.1021/jm0609925
BindingDB Entry DOI: 10.7270/Q2XG9QS7
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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n/an/a 0.718n/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))		BDBM555134
PNG
(US11339157, Example 28)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1ccc(F)c(F)c1OC
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n/an/a 0.738n/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))		BDBM555101
PNG
(2-[3-(2-methoxyethoxy)pyridin-4-yl]-3-(phenylamino...)
Show SMILES COCCOc1cnccc1-c1[nH]c2CCNC(=O)c2c1Nc1ccccc1
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n/an/a 0.779n/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
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Displacement of 1alpha, 25-(OH)[3H]D3 from human VDR expressed in COS1 cells

J Med Chem 50: 5824-32 (2007)


Article DOI: 10.1021/jm070882d
BindingDB Entry DOI: 10.7270/Q2NK3DSS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 0.800n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2

Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
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 0.943n/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
Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) 344D]


(Homo sapiens (Human))		BDBM420259
PNG
(US10487092, Example 107 | [(3S)-3-(Dimethylamino)p...)
Show SMILES COc1cn2nccc2cc1Nc1ncnc2sc3C[C@H](CCc3c12)C(=O)N1CC[C@@H](C1)N(C)C |r|
Show InChI InChI=1S/C25H29N7O2S/c1-30(2)17-7-9-31(12-17)25(33)15-4-5-18-21(10-15)35-24-22(18)23(26-14-27-24)29-19-11-16-6-8-28-32(16)13-20(19)34-3/h6,8,11,13-15,17H,4-5,7,9-10,12H2,1-3H3,(H,26,27,29)/t15-,17-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...

US Patent US10487092 (2019)


BindingDB Entry DOI: 10.7270/Q28W3GPZ
More data for this
Ligand-Target Pair
Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) 344D]


(Homo sapiens (Human))		BDBM420271
PNG
((7S)—N,N-Bis(2-methoxyethyl)-4-[(6-methoxypyrazolo...)
Show SMILES COCCN(CCOC)C(=O)[C@H]1CCc2c(C1)sc1ncnc(Nc3cc4ccnn4cc3OC)c21 |r|
Show InChI InChI=1S/C25H30N6O4S/c1-33-10-8-30(9-11-34-2)25(32)16-4-5-18-21(12-16)36-24-22(18)23(26-15-27-24)29-19-13-17-6-7-28-31(17)14-20(19)35-3/h6-7,13-16H,4-5,8-12H2,1-3H3,(H,26,27,29)/t16-/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...

US Patent US10487092 (2019)


BindingDB Entry DOI: 10.7270/Q28W3GPZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101243
PNG
(US8524722, 143)
Show SMILES Clc1ccc(Nc2ncnc3sc4CN(CCCc4c23)C(=O)\C=C\CN2CCCOCC2)cc1Cl
Show InChI InChI=1S/C25H27Cl2N5O2S/c26-19-7-6-17(14-20(19)27)30-24-23-18-4-1-10-32(15-21(18)35-25(23)29-16-28-24)22(33)5-2-8-31-9-3-12-34-13-11-31/h2,5-7,14,16H,1,3-4,8-13,15H2,(H,28,29,30)/b5-2+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101241
PNG
(US8524722, 134)
Show SMILES CN(C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3cc(O)c(Cl)c(Cl)c3)c21)C(C)(C)C
Show InChI InChI=1S/C24H27Cl2N5O2S/c1-24(2,3)30(4)8-5-6-19(33)31-9-7-15-18(12-31)34-23-20(15)22(27-13-28-23)29-14-10-16(25)21(26)17(32)11-14/h5-6,10-11,13,32H,7-9,12H2,1-4H3,(H,27,28,29)/b6-5+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101240
PNG
(US8524722, 123)
Show SMILES CC(C)C(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3cc(O)cc(Cl)c3)c21
Show InChI InChI=1S/C24H27ClN4O2S/c1-14(2)15(3)5-4-6-21(31)29-8-7-19-20(12-29)32-24-22(19)23(26-13-27-24)28-17-9-16(25)10-18(30)11-17/h4,6,9-11,13-15,30H,5,7-8,12H2,1-3H3,(H,26,27,28)/b6-4+
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Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101239
PNG
(US8524722, 119)
Show SMILES Clc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CNC23CC4CC(CC(C4)C2)C3)cc1Cl |TLB:34:25:32:28.29.30,THB:33:25:28:32.31.30,33:31:28:25.34.26,24:25:32:28.29.30,34:29:32:25.33.26|
Show InChI InChI=1S/C29H31Cl2N5OS/c30-22-4-3-20(11-23(22)31)35-27-26-21-5-7-36(15-24(21)38-28(26)33-16-32-27)25(37)2-1-6-34-29-12-17-8-18(13-29)10-19(9-17)14-29/h1-4,11,16-19,34H,5-10,12-15H2,(H,32,33,35)/b2-1+
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US Patent
n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101237
PNG
(US8524722, 90)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2c(C1)oc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C23H25ClFN5O2/c1-14(2)29(3)9-4-5-20(31)30-10-8-16-19(12-30)32-23-21(16)22(26-13-27-23)28-15-6-7-18(25)17(24)11-15/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,26,27,28)/b5-4+
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
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UniChem
US Patent
n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
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