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Compile Data Set for Download or QSAR

Found 5303 hits with Last Name = 'bömer' and Initial = 'u'   
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))		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))		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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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
Fibroblast growth factor receptor 3


(Homo sapiens (Human))		BDBM302404
PNG
(US9598416, Example 50)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCN(C)CC2)cn2ncnc(N)c12
Show InChI InChI=1S/C22H26N6OS/c1-14-8-15-10-18(30-21(15)17(9-14)29-3)19-16(11-27-6-4-26(2)5-7-27)12-28-20(19)22(23)24-13-25-28/h8-10,12-13H,4-7,11H2,1-3H3,(H2,23,24,25)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
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))		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))		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))		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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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
Fibroblast growth factor receptor 3


(Homo sapiens (Human))		BDBM302362
PNG
(6-[(2-Aminoethoxy)methyl]-5-(7-methoxy-5-methyl-1-...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(COCCN)cn2ncnc(N)c12
Show InChI InChI=1S/C19H21N5O2S/c1-11-5-12-7-15(27-18(12)14(6-11)25-2)16-13(9-26-4-3-20)8-24-17(16)19(21)22-10-23-24/h5-8,10H,3-4,9,20H2,1-2H3,(H2,21,22,23)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM302362
PNG
(6-[(2-Aminoethoxy)methyl]-5-(7-methoxy-5-methyl-1-...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(COCCN)cn2ncnc(N)c12
Show InChI InChI=1S/C19H21N5O2S/c1-11-5-12-7-15(27-18(12)14(6-11)25-2)16-13(9-26-4-3-20)8-24-17(16)19(21)22-10-23-24/h5-8,10H,3-4,9,20H2,1-2H3,(H2,21,22,23)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...

US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))		BDBM194899
PNG
(US9206184, 80)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCNC(=O)C2)c(Cl)n2ncnc(N)c12
Show InChI InChI=1S/C21H21ClN6O2S/c1-11-5-12-7-15(31-19(12)14(6-11)30-2)17-13(8-27-4-3-24-16(29)9-27)20(22)28-18(17)21(23)25-10-26-28/h5-7,10H,3-4,8-9H2,1-2H3,(H,24,29)(H2,23,25,26)
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BAYER INTELLECTUAL PROPERTY GmbH

US Patent


Assay Description
For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio...

US Patent US9206184 (2015)


BindingDB Entry DOI: 10.7270/Q2SN07SH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))		BDBM302363
PNG
(N-{[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen-...)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CNC(C)=O)cn2ncnc(N)c12
Show InChI InChI=1S/C19H19N5O2S/c1-10-4-12-6-15(27-18(12)14(5-10)26-3)16-13(7-21-11(2)25)8-24-17(16)19(20)22-9-23-24/h4-6,8-9H,7H2,1-3H3,(H,21,25)(H2,20,22,23)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
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))		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))		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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n/an/a 0.212n/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))		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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n/an/a 0.213n/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))		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 0.218n/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))		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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n/an/a 0.220n/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))		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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n/an/a 0.239n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM227802
PNG
(US10047096, 65 | rac-4-[(2-Fluoro-5-hydroxy-4-meth...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(O)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C24H24FN5O3/c1-13-8-16(25)19(10-21(13)32)27-18-4-6-26-23-22(18)24(33)29-20-9-14(2-3-17(20)28-23)11-30-7-5-15(31)12-30/h2-4,6,8-10,15,31-32H,5,7,11-12H2,1H3,(H,29,33)(H2,26,27,28)
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n/an/a 0.246n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...

US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
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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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))		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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n/an/a 0.259n/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))		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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM227931
PNG
(US10047096, 192 | trans-Ethyl 3-[({4-[(2-fluoro-5-...)
Show SMILES CCOC(=O)[C@H]1C[C@@H](C1)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 |r,wU:7.9,wD:5.4,(10.32,4.14,;10.32,2.6,;8.99,1.83,;8.99,.29,;10.32,-.48,;7.65,-.48,;6.17,-.09,;5.77,-1.57,;7.26,-1.97,;4.43,-2.34,;3.66,-3.68,;2.12,-3.68,;1.46,-5.06,;-.08,-5.18,;-.95,-3.91,;-2.45,-4.25,;-3.65,-3.29,;-4.99,-4.06,;-6.32,-3.29,;-6.32,-1.75,;-4.99,-.98,;-4.99,.56,;-6.32,1.33,;-6.32,2.87,;-7.65,3.64,;-7.65,5.18,;-8.99,2.87,;-10.32,3.64,;-8.99,1.33,;-7.65,.56,;-7.65,-.98,;-3.65,-1.75,;-2.45,-.79,;-2.85,.7,;-.95,-1.13,;-.28,-2.52,;1.26,-2.41,)|
Show InChI InChI=1S/C27H28FN5O4/c1-3-37-27(36)16-10-17(11-16)30-13-15-4-5-19-22(9-15)33-26(35)24-20(6-7-29-25(24)32-19)31-21-12-23(34)14(2)8-18(21)28/h4-9,12,16-17,30,34H,3,10-11,13H2,1-2H3,(H,33,35)(H2,29,31,32)/t16-,17-
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n/an/a 0.274n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...

US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
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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n/an/a 0.280n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM227801
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5C[C@H](O)C[C@H]5CO)cc4NC(=O)c23)cc1O |r|
Show InChI InChI=1S/C25H26FN5O4/c1-13-6-17(26)20(9-22(13)34)28-19-4-5-27-24-23(19)25(35)30-21-7-14(2-3-18(21)29-24)10-31-11-16(33)8-15(31)12-32/h2-7,9,15-16,32-34H,8,10-12H2,1H3,(H,30,35)(H2,27,28,29)/t15-,16+/m0/s1
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n/an/a 0.287n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...

US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
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
Fibroblast growth factor receptor 3


(Homo sapiens (Human))		BDBM302385
PNG
(4-{[4-Amino-5-(5-chloro-7-methoxy-1-benzothiophen-...)
Show SMILES COc1cc(Cl)cc2cc(sc12)-c1c(CN2CCNC(=O)C2)cn2ncnc(N)c12
Show InChI InChI=1S/C20H19ClN6O2S/c1-29-14-6-13(21)4-11-5-15(30-19(11)14)17-12(7-26-3-2-23-16(28)9-26)8-27-18(17)20(22)24-10-25-27/h4-6,8,10H,2-3,7,9H2,1H3,(H,23,28)(H2,22,24,25)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM302404
PNG
(US9598416, Example 50)
Show SMILES COc1cc(C)cc2cc(sc12)-c1c(CN2CCN(C)CC2)cn2ncnc(N)c12
Show InChI InChI=1S/C22H26N6OS/c1-14-8-15-10-18(30-21(15)17(9-14)29-3)19-16(11-27-6-4-26(2)5-7-27)12-28-20(19)22(23)24-13-25-28/h8-10,12-13H,4-7,11H2,1-3H3,(H2,23,24,25)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 μM to 0.1 nM (e.g. 20 μM...

US Patent US9598416 (2017)


BindingDB Entry DOI: 10.7270/Q2Q2428R
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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n/an/a 0.309n/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))		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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n/an/a 0.310n/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))		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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM227926
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CC(O)C5)cc4NC(=O)c23)cc1O |(-9.65,3.64,;-8.32,2.87,;-8.32,1.33,;-6.99,.56,;-6.99,-.98,;-5.65,1.33,;-4.32,.56,;-4.32,-.98,;-5.65,-1.75,;-5.65,-3.29,;-4.32,-4.06,;-2.99,-3.29,;-1.78,-4.25,;-.28,-3.91,;.59,-5.18,;2.12,-5.06,;2.79,-3.68,;4.33,-3.68,;5.1,-2.34,;6.43,-1.57,;7.92,-1.97,;8.32,-.48,;9.65,.29,;6.83,-.09,;1.92,-2.41,;.39,-2.52,;-.28,-1.13,;-1.78,-.79,;-2.18,.7,;-2.99,-1.75,;-5.65,2.87,;-6.99,3.64,;-6.99,5.18,)|
Show InChI InChI=1S/C24H24FN5O3/c1-12-6-16(25)19(10-21(12)32)28-18-4-5-26-23-22(18)24(33)30-20-7-13(2-3-17(20)29-23)11-27-14-8-15(31)9-14/h2-7,10,14-15,27,31-32H,8-9,11H2,1H3,(H,30,33)(H2,26,28,29)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...

US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM227794
PNG
(US10047096, 57 | rac-1-({4-[(2-Fluoro-5-hydroxy-4-...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(C5)C(N)=O)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H27FN6O3/c1-14-9-17(27)20(11-22(14)34)30-19-6-7-29-25-23(19)26(36)32-21-10-15(4-5-18(21)31-25)12-33-8-2-3-16(13-33)24(28)35/h4-7,9-11,16,34H,2-3,8,12-13H2,1H3,(H2,28,35)(H,32,36)(H2,29,30,31)
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n/an/a 0.330n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...

US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM478724
PNG
(US10894784, Example 117.02 | cyclopropyl(4-{(1R or...)
Show SMILES CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCCC2)c1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length N-terminally His-tagged human TBK1, expressed in insect cells and purified by Ni-NTA affinity chromatography, was purchased f...

US Patent US10894784 (2021)


BindingDB Entry DOI: 10.7270/Q2PV6PFT
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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n/an/a 0.342n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM227785
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-[(i...)
Show SMILES CC(C)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN5O2/c1-12(2)26-11-14-4-5-16-19(9-14)29-23(31)21-17(6-7-25-22(21)28-16)27-18-10-20(30)13(3)8-15(18)24/h4-10,12,26,30H,11H2,1-3H3,(H,29,31)(H2,25,27,28)
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UniChem
US Patent
n/an/a 0.363n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...

US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM227814
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN[C@H]5CC[C@H](O)CC5)cc4NC(=O)c23)cc1O |r,wU:22.22,wD:19.18,(-10.46,3.64,;-9.12,2.87,;-9.12,1.33,;-7.79,.56,;-7.79,-.98,;-6.46,1.33,;-5.12,.56,;-5.12,-.98,;-6.46,-1.75,;-6.46,-3.29,;-5.12,-4.06,;-3.79,-3.29,;-2.59,-4.25,;-1.08,-3.91,;-.22,-5.18,;1.32,-5.06,;1.99,-3.68,;3.53,-3.68,;4.3,-2.34,;5.84,-2.34,;6.61,-3.68,;8.15,-3.68,;8.92,-2.34,;10.46,-2.34,;8.15,-1.01,;6.61,-1.01,;1.12,-2.4,;-.42,-2.52,;-1.08,-1.13,;-2.59,-.79,;-2.98,.7,;-3.79,-1.75,;-6.46,2.87,;-7.79,3.64,;-7.79,5.18,)|
Show InChI InChI=1S/C26H28FN5O3/c1-14-10-18(27)21(12-23(14)34)30-20-8-9-28-25-24(20)26(35)32-22-11-15(2-7-19(22)31-25)13-29-16-3-5-17(33)6-4-16/h2,7-12,16-17,29,33-34H,3-6,13H2,1H3,(H,32,35)(H2,28,30,31)/t16-,17-
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US Patent
n/an/a 0.372n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...

US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM227902
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[4...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(CCO)CC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C27H30FN5O3/c1-16-12-19(28)22(14-24(16)35)30-21-4-8-29-26-25(21)27(36)32-23-13-18(2-3-20(23)31-26)15-33-9-5-17(6-10-33)7-11-34/h2-4,8,12-14,17,34-35H,5-7,9-11,15H2,1H3,(H,32,36)(H2,29,30,31)
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UniChem
US Patent
n/an/a 0.388n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...

US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM227786
PNG
(8-{[Ethyl(methyl)amino]methyl}-4-[(2-fluoro-5-hydr...)
Show SMILES CCN(C)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN5O2/c1-4-29(3)12-14-5-6-16-19(10-14)28-23(31)21-17(7-8-25-22(21)27-16)26-18-11-20(30)13(2)9-15(18)24/h5-11,30H,4,12H2,1-3H3,(H,28,31)(H2,25,26,27)
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UniChem
US Patent
n/an/a 0.388n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...

US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
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