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Compile Data Set for Download or QSAR

Found 7137 hits of affinity data for UniProtKB/TrEMBL: P00533   
Target
(Institution)
LigandTarget
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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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0.4n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50236369
PNG
((R)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)
Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m1/s1
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1.6n/an/an/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cAMP phosphodiesterase III in dog aorta


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221531
PNG
(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
Show InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1
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3.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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6.0n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displaceement of [3H]-clonidine from alpha-2 adrenergic receptor in rat brain


Citation and Details
corrected by BindingDB staff
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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8.0n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221516
PNG
(6-methoxy-7-(3-morpholinopropoxy)-4-((1R,2S)-2-phe...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C27H30N4O3/c1-32-25-15-22-23(16-26(25)34-11-5-8-31-9-12-33-13-10-31)29-18-20(17-28)27(22)30-24-14-21(24)19-6-3-2-4-7-19/h2-4,6-7,15-16,18,21,24H,5,8-14H2,1H3,(H,29,30)/t21-,24+/m0/s1
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8.4n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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17.0n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221518
PNG
(6,7-dimethoxy-4-((1R,2S)-2-phenylcyclopropylamino)...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C21H19N3O2/c1-25-19-9-16-17(10-20(19)26-2)23-12-14(11-22)21(16)24-18-8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,23,24)/t15-,18+/m0/s1
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24.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337384
PNG
(4-(3-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H24FN5O/c24-20-5-2-17(3-6-20)22-23(18-4-7-21-19(14-18)15-26-27-21)29(16-25-22)9-1-8-28-10-12-30-13-11-28/h2-7,14-16H,1,8-13H2,(H,26,27)
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27.0n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50315893
PNG
(CHEMBL1090356 | N-(3-(5-(2-(4-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h1-14,17,20,22H,15-16,18-19,21H2,(H,35,41)(H,34,36,37)
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32.0n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50396071
PNG
(CHEMBL2170582)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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35.0n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221535
PNG
(4-((1R,2S)-2-(2-fluorophenyl)cyclopropylamino)-6,7...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3F)c2cc1OC
Show InChI InChI=1S/C21H18FN3O2/c1-26-19-8-15-17(9-20(19)27-2)24-11-12(10-23)21(15)25-18-7-14(18)13-5-3-4-6-16(13)22/h3-6,8-9,11,14,18H,7H2,1-2H3,(H,24,25)/t14-,18+/m0/s1
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36.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221522
PNG
(6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclo...)
Show SMILES NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C26H22N4/c27-14-17-6-8-18(9-7-17)20-10-11-24-23(12-20)26(21(15-28)16-29-24)30-25-13-22(25)19-4-2-1-3-5-19/h1-12,16,22,25H,13-14,27H2,(H,29,30)/t22-,25+/m0/s1
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40.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221530
PNG
(6,7-diethyl-2-ethynyl-1-(((1S,2R)-2-p-tolylcyclopr...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C21H18ClN3O2/c1-26-19-8-16-17(9-20(19)27-2)24-11-13(10-23)21(16)25-18-7-15(18)12-3-5-14(22)6-4-12/h3-6,8-9,11,15,18H,7H2,1-2H3,(H,24,25)/t15-,18+/m0/s1
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44.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221527
PNG
(7-methoxy-6-(3-morpholinopropoxy)-4-((1R,2S)-2-phe...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H30N4O3/c1-32-25-16-23-22(15-26(25)34-11-5-8-31-9-12-33-13-10-31)27(20(17-28)18-29-23)30-24-14-21(24)19-6-3-2-4-7-19/h2-4,6-7,15-16,18,21,24H,5,8-14H2,1H3,(H,29,30)/t21-,24+/m0/s1
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52.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221533
PNG
(4-((1R,2S)-2-(3-bromophenyl)cyclopropylamino)-6,7-...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C21H18BrN3O2/c1-26-19-8-16-17(9-20(19)27-2)24-11-13(10-23)21(16)25-18-7-15(18)12-4-3-5-14(22)6-12/h3-6,8-9,11,15,18H,7H2,1-2H3,(H,24,25)/t15-,18+/m0/s1
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52.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221517
PNG
(6-methoxy-7-(2-methoxyethoxy)-4-((1R,2S)-2-phenylc...)
Show SMILES COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C23H23N3O3/c1-27-8-9-29-22-12-19-18(11-21(22)28-2)23(16(13-24)14-25-19)26-20-10-17(20)15-6-4-3-5-7-15/h3-7,11-12,14,17,20H,8-10H2,1-2H3,(H,25,26)/t17-,20+/m0/s1
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60.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221521
PNG
(7-methoxy-6-(2-morpholinoethoxy)-4-((1R,2S)-2-phen...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCN1CCOCC1
Show InChI InChI=1S/C26H28N4O3/c1-31-24-15-22-21(14-25(24)33-12-9-30-7-10-32-11-8-30)26(19(16-27)17-28-22)29-23-13-20(23)18-5-3-2-4-6-18/h2-6,14-15,17,20,23H,7-13H2,1H3,(H,28,29)/t20-,23+/m0/s1
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64.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337382
PNG
(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imida...)
Show SMILES CN(C)CCn1cnc(c1-c1ccc2[nH]ncc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN5/c1-25(2)9-10-26-13-22-19(14-3-6-17(21)7-4-14)20(26)15-5-8-18-16(11-15)12-23-24-18/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
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67.0n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221528
PNG
(7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-6-(...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1
Show InChI InChI=1S/C28H26N4O2/c1-33-26-15-24-23(14-27(26)34-12-6-8-19-7-5-11-30-17-19)28(21(16-29)18-31-24)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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68.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221532
PNG
(6,7-dimethoxy-4-((1R,2S)-2-(4-phenoxyphenyl)cyclop...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H23N3O3/c1-31-25-13-22-23(14-26(25)32-2)29-16-18(15-28)27(22)30-24-12-21(24)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h3-11,13-14,16,21,24H,12H2,1-2H3,(H,29,30)/t21-,24+/m0/s1
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80.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221529
PNG
(7-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2cc(ccc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)10-11-26(28)30(25)33-29-17-27(29)23-4-2-1-3-5-23/h1-11,16,19,27,29H,12-15,17,20H2,(H,32,33)/t27-,29+/m0/s1
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80.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221515
PNG
(6-(benzyloxy)-7-methoxy-4-((1R,2S)-2-phenylcyclopr...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCc1ccccc1
Show InChI InChI=1S/C27H23N3O2/c1-31-25-14-23-22(13-26(25)32-17-18-8-4-2-5-9-18)27(20(15-28)16-29-23)30-24-12-21(24)19-10-6-3-7-11-19/h2-11,13-14,16,21,24H,12,17H2,1H3,(H,29,30)/t21-,24+/m0/s1
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120.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50040929
PNG
(4,5-dianilinophthalimide | 5,6-bis(phenylamino)-1H...)
Show SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12
Show InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
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160.0n/an/an/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221523
PNG
(7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)quin...)
Show SMILES COc1ccc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2c1)C#N
Show InChI InChI=1S/C20H17N3O/c1-24-15-7-8-16-18(9-15)22-12-14(11-21)20(16)23-19-10-17(19)13-5-3-2-4-6-13/h2-9,12,17,19H,10H2,1H3,(H,22,23)/t17-,19+/m0/s1
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180.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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200.0n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221534
PNG
(4-((1R,2S)-2-(4-bromophenyl)cyclopropylamino)-6,7-...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccc(Br)cc3)c2cc1OC
Show InChI InChI=1S/C21H18BrN3O2/c1-26-19-8-16-17(9-20(19)27-2)24-11-13(10-23)21(16)25-18-7-15(18)12-3-5-14(22)6-4-12/h3-6,8-9,11,15,18H,7H2,1-2H3,(H,24,25)/t15-,18+/m0/s1
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220.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221524
PNG
(6-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-7-(...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCc1cccnc1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-33-26-14-23-24(15-27(26)34-12-6-8-19-7-5-11-30-17-19)31-18-21(16-29)28(23)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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220.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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340.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221526
PNG
(6-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)quin...)
Show SMILES COc1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C20H17N3O/c1-24-15-7-8-18-17(9-15)20(14(11-21)12-22-18)23-19-10-16(19)13-5-3-2-4-6-13/h2-9,12,16,19H,10H2,1H3,(H,22,23)/t16-,19+/m0/s1
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360.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221519
PNG
(6-methoxy-7-(1-methylpiperidin-4-yloxy)-4-((1R,2S)...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OC1CCN(C)CC1)C#N
Show InChI InChI=1S/C26H28N4O2/c1-30-10-8-19(9-11-30)32-25-14-22-21(13-24(25)31-2)26(18(15-27)16-28-22)29-23-12-20(23)17-6-4-3-5-7-17/h3-7,13-14,16,19-20,23H,8-12H2,1-2H3,(H,28,29)/t20-,23+/m0/s1
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360.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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400.0n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50221525
PNG
(6-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-11-10-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)16-27(28)30(25)33-29-17-26(29)23-4-2-1-3-5-23/h1-11,16,19,26,29H,12-15,17,20H2,(H,32,33)/t26-,29+/m0/s1
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400.0n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50331613
PNG
(CHEMBL1290177 | N-(4-chlorobenzyl)benzofuro[2,3-b]...)
Show SMILES Clc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C18H13ClN2O/c19-13-7-5-12(6-8-13)11-21-15-9-10-20-18-17(15)14-3-1-2-4-16(14)22-18/h1-10H,11H2,(H,20,21)
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500.0n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50331618
PNG
(CHEMBL1289976 | N-benzylbenzofuro[2,3-b]pyridin-4-...)
Show SMILES C(Nc1ccnc2oc3ccccc3c12)c1ccccc1
Show InChI InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-20-15-10-11-19-18-17(15)14-8-4-5-9-16(14)21-18/h1-11H,12H2,(H,19,20)
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590.0n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50331616
PNG
(CHEMBL1290071 | N-(naphthalen-1-ylmethyl)benzofuro...)
Show SMILES C(Nc1ccnc2oc3ccccc3c12)c1cccc2ccccc12
Show InChI InChI=1S/C22H16N2O/c1-2-9-17-15(6-1)7-5-8-16(17)14-24-19-12-13-23-22-21(19)18-10-3-4-11-20(18)25-22/h1-13H,14H2,(H,23,24)
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680.0n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM4363
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...)
Show SMILES NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H8N2O2S/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
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850.0 -34.3 2400.0n/an/an/an/a7.622



Hebrew University of Jerusalem



Assay Description
The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.


J Med Chem 32: 2344-52 (1989)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM4341
PNG
(2-[(3,4,5-trihydroxyphenyl)methylidene]propanedini...)
Show SMILES Oc1cc(C=C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
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1000.0 -33.9 3000.0n/an/an/an/a7.622



Hebrew University of Jerusalem



Assay Description
The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.


J Med Chem 32: 2344-52 (1989)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1000.0n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337328
PNG
(5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)isoxaz...)
Show SMILES C(N1CCCCC1)c1cc(on1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H18N4O/c1-2-6-20(7-3-1)11-14-9-16(21-19-14)12-4-5-15-13(8-12)10-17-18-15/h4-5,8-10H,1-3,6-7,11H2,(H,17,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337326
PNG
(5-(1H-indazol-5-yl)-3-propylisoxazole | CHEMBL1682...)
Show SMILES CCCc1cc(on1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C13H13N3O/c1-2-3-11-7-13(17-16-11)9-4-5-12-10(6-9)8-14-15-12/h4-8H,2-3H2,1H3,(H,14,15)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337324
PNG
(3-benzyl-5-(1H-indazol-5-yl)isoxazole | CHEMBL1682...)
Show SMILES C(c1cc(on1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C17H13N3O/c1-2-4-12(5-3-1)8-15-10-17(21-20-15)13-6-7-16-14(9-13)11-18-19-16/h1-7,9-11H,8H2,(H,18,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337315
PNG
(5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-am...)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N6/c17-16-13-8-12(6-7-14(13)18-20-16)15-10-22(21-19-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H3,17,18,20)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337314
PNG
(5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazole | C...)
Show SMILES C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H13N5/c1-2-4-12(5-3-1)10-21-11-16(19-20-21)13-6-7-15-14(8-13)9-17-18-15/h1-9,11H,10H2,(H,17,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337312
PNG
(5-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)-1H-in...)
Show SMILES C(Cc1cn(nn1)-c1ccc2[nH]ncc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H17N5/c1-2-5-14(6-3-1)7-4-8-16-13-23(22-20-16)17-9-10-18-15(11-17)12-19-21-18/h1-3,5-6,9-13H,4,7-8H2,(H,19,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337311
PNG
(5-(4-phenethyl-1H-1,2,3-triazol-1-yl)-1H-indazole ...)
Show SMILES C(Cc1ccccc1)c1cn(nn1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H15N5/c1-2-4-13(5-3-1)6-7-15-12-22(21-19-15)16-8-9-17-14(10-16)11-18-20-17/h1-5,8-12H,6-7H2,(H,18,20)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337370
PNG
(4-(1H-indazol-5-yl)-N-phenylthiazol-2-amine | CHEM...)
Show SMILES N(c1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C16H12N4S/c1-2-4-13(5-3-1)18-16-19-15(10-21-16)11-6-7-14-12(8-11)9-17-20-14/h1-10H,(H,17,20)(H,18,19)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337371
PNG
(CHEMBL1682546 | N-benzyl-4-(1H-indazol-5-yl)thiazo...)
Show SMILES C(Nc1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C17H14N4S/c1-2-4-12(5-3-1)9-18-17-20-16(11-22-17)13-6-7-15-14(8-13)10-19-21-15/h1-8,10-11H,9H2,(H,18,20)(H,19,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337377
PNG
(CHEMBL1682552 | N-cyclohexyl-2-(1H-indazol-5-yl)im...)
Show SMILES C1CCC(CC1)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H20N6/c1-2-5-15(6-3-1)22-18-17(23-19-20-9-4-10-25(18)19)13-7-8-16-14(11-13)12-21-24-16/h4,7-12,15,22H,1-3,5-6H2,(H,21,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50337378
PNG
(2-(1H-indazol-5-yl)-N-isopropylimidazo[1,2-a]pyrim...)
Show SMILES CC(C)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H16N6/c1-10(2)19-15-14(20-16-17-6-3-7-22(15)16)11-4-5-13-12(8-11)9-18-21-13/h3-10,19H,1-2H3,(H,18,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Citation and Details
More data for this
Ligand-Target Pair
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