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Compile Data Set for Download or QSAR

Found 112 hits of ec50 data for polymerid = 50003688,520   
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


(Homo sapiens (human))
BDBM270592
PNG
((S)-6-(((1-(1- (difluoromethyl) cyclopropyl)-1H-1,...)
Show SMILES Cn1ccc2c(cccc2c1=O)[C@H](Nc1cc(C#N)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F
Show InChI InChI=1S/C31H31F2N9O/c1-30(2,3)16-35-27-23-13-19(12-18(14-34)25(23)36-17-37-27)38-26(24-15-42(40-39-24)31(9-10-31)29(32)33)21-6-5-7-22-20(21)8-11-41(4)28(22)43/h5-8,11-13,15,17,26,29,38H,9-10,16H2,1-4H3,(H,35,36,37)/t26-/m0/s1
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n/an/an/an/a 11.3n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270594
PNG
((S)-5-((1- (bicyclo[1.1.1]pentan- 1-yl)-1H-1,2,3- ...)
Show SMILES Cn1ccc2c(cccc2c1=O)[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C12CC(C1)C2
Show InChI InChI=1S/C31H33ClN8O/c1-30(2,3)16-33-28-23-10-19(11-24(32)26(23)34-17-35-28)36-27(25-15-40(38-37-25)31-12-18(13-31)14-31)21-6-5-7-22-20(21)8-9-39(4)29(22)41/h5-11,15,17-18,27,36H,12-14,16H2,1-4H3,(H,33,34,35)/t18?,27-,31?/m0/s1
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n/an/an/an/a 12.1n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270587
PNG
((S)-6-(((2- chlorophenyl)(1- cyclopropyl-1H- 1,2,3...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(NC(c3cn(nn3)C3CC3)c3ccccc3Cl)cc12)C#N
Show InChI InChI=1S/C26H27ClN8/c1-26(2,3)14-29-25-20-11-17(10-16(12-28)23(20)30-15-31-25)32-24(19-6-4-5-7-21(19)27)22-13-35(34-33-22)18-8-9-18/h4-7,10-11,13,15,18,24,32H,8-9,14H2,1-3H3,(H,29,30,31)
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n/an/an/an/a 20n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270593
PNG
((S)-5-(((8-chloro-4- (neopentylamino) quinazolin-6...)
Show SMILES Cn1ccc2c(cccc2c1=O)[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F
Show InChI InChI=1S/C30H31ClF2N8O/c1-29(2,3)15-34-26-21-12-17(13-22(31)24(21)35-16-36-26)37-25(23-14-41(39-38-23)30(9-10-30)28(32)33)19-6-5-7-20-18(19)8-11-40(4)27(20)42/h5-8,11-14,16,25,28,37H,9-10,15H2,1-4H3,(H,34,35,36)/t25-/m0/s1
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n/an/an/an/a 25.5n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270589
PNG
((S)-8-chloro-N6-((1- (1- (difluoromethyl) cyclopro...)
Show SMILES Cc1nc(F)ccc1[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F
Show InChI InChI=1S/C26H28ClF3N8/c1-14-16(5-6-20(28)34-14)22(19-11-38(37-36-19)26(7-8-26)24(29)30)35-15-9-17-21(18(27)10-15)32-13-33-23(17)31-12-25(2,3)4/h5-6,9-11,13,22,24,35H,7-8,12H2,1-4H3,(H,31,32,33)/t22-/m0/s1
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n/an/an/an/a 28n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201153
PNG
(CHEMBL3892515)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C30H44N8O/c1-36-16-18-37(19-17-36)21-23-9-11-24(12-10-23)26-22-38-15-7-4-8-27(31)29(39)32-13-5-2-3-6-14-33-30-34-20-25(26)28(38)35-30/h9-12,20,22,27H,2-8,13-19,21,31H2,1H3,(H,32,39)(H,33,34,35)/t27-/m0/s1
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n/an/an/an/a 34n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270588
PNG
((S)-6-(((2- chlorophenyl)(1-(1- cyanocyclopropyl)-...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(NC(c3cn(nn3)C3(CC3)C#N)c3ccccc3Cl)cc12)C#N
Show InChI InChI=1S/C27H26ClN9/c1-26(2,3)15-31-25-20-11-18(10-17(12-29)23(20)32-16-33-25)34-24(19-6-4-5-7-21(19)28)22-13-37(36-35-22)27(14-30)8-9-27/h4-7,10-11,13,16,24,34H,8-9,15H2,1-3H3,(H,31,32,33)
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n/an/an/an/a 35n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270590
PNG
((S)-6-(((1-(1- (difluoromethyl) cyclopropyl)-1H-1,...)
Show SMILES Cc1nc(F)ccc1[C@H](Nc1cc(C#N)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F
Show InChI InChI=1S/C27H28F3N9/c1-15-18(5-6-21(28)35-15)23(20-12-39(38-37-20)27(7-8-27)25(29)30)36-17-9-16(11-31)22-19(10-17)24(34-14-33-22)32-13-26(2,3)4/h5-6,9-10,12,14,23,25,36H,7-8,13H2,1-4H3,(H,32,33,34)/t23-/m0/s1
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n/an/an/an/a 36n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201076
PNG
(CHEMBL3951096)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C27H38N6O/c1-31-14-16-32(17-15-31)19-21-8-10-22(11-9-21)25-20-33-13-5-7-23(34)6-3-2-4-12-28-27-29-18-24(25)26(33)30-27/h8-11,18,20,23,34H,2-7,12-17,19H2,1H3,(H,28,29,30)
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n/an/an/an/a 39n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270582
PNG
((S)-6-(((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12)C#N
Show InChI InChI=1S/C26H27FN8/c1-26(2,3)14-29-25-21-11-19(10-17(12-28)23(21)30-15-31-25)32-24(16-4-6-18(27)7-5-16)22-13-35(34-33-22)20-8-9-20/h4-7,10-11,13,15,20,24,32H,8-9,14H2,1-3H3,(H,29,30,31)
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n/an/an/an/a 42n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201039
PNG
(CHEMBL3910520)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C29H42N6O/c1-33-16-18-34(19-17-33)21-23-10-12-24(13-11-23)27-22-35-15-7-9-25(36)8-5-3-2-4-6-14-30-29-31-20-26(27)28(35)32-29/h10-13,20,22,25,36H,2-9,14-19,21H2,1H3,(H,30,31,32)
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n/an/an/an/a 43n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270584
PNG
((S)-8-chloro-N6-((1- (1- (fluoromethyl) cyclopropy...)
Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(nn3)C3(CF)CC3)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C26H28ClF2N7/c1-25(2,3)14-30-24-19-10-18(11-20(27)23(19)31-15-32-24)33-22(16-4-6-17(29)7-5-16)21-12-36(35-34-21)26(13-28)8-9-26/h4-7,10-12,15,22,33H,8-9,13-14H2,1-3H3,(H,30,31,32)
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n/an/an/an/a 46n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4566
PNG
(4-anilinoquinazoline deriv. 1 | CHEMBL91867 | N-{4...)
Show SMILES CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)
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n/an/an/an/a 50n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR by cellular assay


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270585
PNG
((S)-6- ((benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12)C#N
Show InChI InChI=1S/C28H26F3N9S/c1-26(2,3)13-33-25-19-10-17(9-16(11-32)22(19)34-14-35-25)37-23(18-5-4-6-20-24(18)41-15-36-20)21-12-40(39-38-21)27(7-8-27)28(29,30)31/h4-6,9-10,12,14-15,23,37H,7-8,13H2,1-3H3,(H,33,34,35)/t23-/m0/s1
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n/an/an/an/a 59n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201152
PNG
(CHEMBL3938180)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C29H42N6O/c1-33-16-18-34(19-17-33)21-23-10-12-24(13-11-23)27-22-35-15-7-3-5-9-25(36)8-4-2-6-14-30-29-31-20-26(27)28(35)32-29/h10-13,20,22,25,36H,2-9,14-19,21H2,1H3,(H,30,31,32)
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n/an/an/an/a 69n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201077
PNG
(CHEMBL3967759)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCC(O)CCCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C31H46N6O/c1-35-18-20-36(21-19-35)23-25-12-14-26(15-13-25)29-24-37-17-9-7-11-27(38)10-6-4-2-3-5-8-16-32-31-33-22-28(29)30(37)34-31/h12-15,22,24,27,38H,2-11,16-21,23H2,1H3,(H,32,33,34)
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n/an/an/an/a 72n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270583
PNG
((S)-8-bromo-N6-((1- cyclopropyl-1H- 1,2,3-triazol-...)
Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C25H27BrFN7/c1-25(2,3)13-28-24-19-10-17(11-20(26)23(19)29-14-30-24)31-22(15-4-6-16(27)7-5-15)21-12-34(33-32-21)18-8-9-18/h4-7,10-12,14,18,22,31H,8-9,13H2,1-3H3,(H,28,29,30)
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n/an/an/an/a 82n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270570
PNG
((S)-N6-((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES CC(C)(C)CNc1ncnc2ccc(N[C@H](c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C25H28FN7/c1-25(2,3)14-27-24-20-12-18(8-11-21(20)28-15-29-24)30-23(16-4-6-17(26)7-5-16)22-13-33(32-31-22)19-9-10-19/h4-8,11-13,15,19,23,30H,9-10,14H2,1-3H3,(H,27,28,29)/t23-/m0/s1
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n/an/an/an/a 85n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270577
PNG
((S)-8-chloro-N6-((2- chlorophenyl)(1- cyclopropyl-...)
Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(nn3)C3CC3)c3ccccc3Cl)cc12
Show InChI InChI=1S/C25H27Cl2N7/c1-25(2,3)13-28-24-18-10-15(11-20(27)22(18)29-14-30-24)31-23(17-6-4-5-7-19(17)26)21-12-34(33-32-21)16-8-9-16/h4-7,10-12,14,16,23,31H,8-9,13H2,1-3H3,(H,28,29,30)
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n/an/an/an/a 86n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270569
PNG
((S)-N6-((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES CC(C)(C)CNc1ncnc2ccc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C25H28FN7/c1-25(2,3)14-27-24-20-12-18(8-11-21(20)28-15-29-24)30-23(16-4-6-17(26)7-5-16)22-13-33(32-31-22)19-9-10-19/h4-8,11-13,15,19,23,30H,9-10,14H2,1-3H3,(H,27,28,29)
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n/an/an/an/a 101n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270575
PNG
((S)-3-((1- cyclopropyl-1H- 1,2,3-triazol-4- yl)((4...)
Show SMILES CC(C)(C)CNc1ncnc2ccc(NC(c3cn(nn3)C3CC3)c3cccc(c3)C#N)cc12
Show InChI InChI=1S/C26H28N8/c1-26(2,3)15-28-25-21-12-19(7-10-22(21)29-16-30-25)31-24(18-6-4-5-17(11-18)13-27)23-14-34(33-32-23)20-8-9-20/h4-7,10-12,14,16,20,24,31H,8-9,15H2,1-3H3,(H,28,29,30)
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n/an/an/an/a 102n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201165
PNG
(CHEMBL3932614)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCC(O)CCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C30H44N6O/c1-34-17-19-35(20-18-34)22-24-11-13-25(14-12-24)28-23-36-16-8-6-10-26(37)9-5-3-2-4-7-15-31-30-32-21-27(28)29(36)33-30/h11-14,21,23,26,37H,2-10,15-20,22H2,1H3,(H,31,32,33)
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n/an/an/an/a 110n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201169
PNG
(CHEMBL3976261)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C30H44N6O/c1-34-17-19-35(20-18-34)22-24-11-13-25(14-12-24)28-23-36-16-8-4-6-10-26(37)9-5-2-3-7-15-31-30-32-21-27(28)29(36)33-30/h11-14,21,23,26,37H,2-10,15-20,22H2,1H3,(H,31,32,33)
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n/an/an/an/a 120n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201148
PNG
(CHEMBL3946971)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C31H46N6O/c1-35-18-20-36(21-19-35)23-25-12-14-26(15-13-25)29-24-37-17-9-5-7-11-27(38)10-6-3-2-4-8-16-32-31-33-22-28(29)30(37)34-31/h12-15,22,24,27,38H,2-11,16-21,23H2,1H3,(H,32,33,34)
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n/an/an/an/a 150n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201043
PNG
(CHEMBL3920231)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCC(O)CCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C28H40N6O/c1-32-15-17-33(18-16-32)20-22-9-11-23(12-10-22)26-21-34-14-6-4-8-24(35)7-3-2-5-13-29-28-30-19-25(26)27(34)31-28/h9-12,19,21,24,35H,2-8,13-18,20H2,1H3,(H,29,30,31)
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n/an/an/an/a 150n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201147
PNG
(CHEMBL3986139)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C29H41N5O2/c35-25-8-4-2-1-3-6-14-30-29-31-20-26-27(22-34(28(26)32-29)15-7-5-9-25)24-12-10-23(11-13-24)21-33-16-18-36-19-17-33/h10-13,20,22,25,35H,1-9,14-19,21H2,(H,30,31,32)
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n/an/an/an/a 160n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201078
PNG
(CHEMBL3964573)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C32H48N8O/c1-38-18-20-39(21-19-38)23-25-11-13-26(14-12-25)28-24-40-17-9-6-10-29(33)31(41)34-15-7-4-2-3-5-8-16-35-32-36-22-27(28)30(40)37-32/h11-14,22,24,29H,2-10,15-21,23,33H2,1H3,(H,34,41)(H,35,36,37)/t29-/m0/s1
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n/an/an/an/a 160n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270576
PNG
((S)-N6-((2- chlorophenyl)(1- cyclopropyl-1H- 1,2,3...)
Show SMILES CC(C)(C)CNc1ncnc2ccc(N[C@H](c3cn(nn3)C3CC3)c3ccccc3Cl)cc12
Show InChI InChI=1S/C25H28ClN7/c1-25(2,3)14-27-24-19-12-16(8-11-21(19)28-15-29-24)30-23(18-6-4-5-7-20(18)26)22-13-33(32-31-22)17-9-10-17/h4-8,11-13,15,17,23,30H,9-10,14H2,1-3H3,(H,27,28,29)/t23-/m0/s1
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n/an/an/an/a 169n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270581
PNG
((S)-8-chloro-N6-((4- fluorophenyl)(1-(1- (trifluor...)
Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(nn3)C3(CC3)C(F)(F)F)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C26H26ClF4N7/c1-24(2,3)13-32-23-18-10-17(11-19(27)22(18)33-14-34-23)35-21(15-4-6-16(28)7-5-15)20-12-38(37-36-20)25(8-9-25)26(29,30)31/h4-7,10-12,14,21,35H,8-9,13H2,1-3H3,(H,32,33,34)
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n/an/an/an/a 181n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201151
PNG
(CHEMBL3948030)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C30H44N6O/c1-34-17-19-35(20-18-34)22-24-11-13-25(14-12-24)28-23-36-16-8-10-26(37)9-6-4-2-3-5-7-15-31-30-32-21-27(28)29(36)33-30/h11-14,21,23,26,37H,2-10,15-20,22H2,1H3,(H,31,32,33)
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n/an/an/an/a 190n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270586
PNG
((S)-N6- (benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12
Show InChI InChI=1S/C27H26BrF3N8S/c1-25(2,3)12-32-24-17-9-15(10-18(28)21(17)33-13-34-24)36-22(16-5-4-6-19-23(16)40-14-35-19)20-11-39(38-37-20)26(7-8-26)27(29,30)31/h4-6,9-11,13-14,22,36H,7-8,12H2,1-3H3,(H,32,33,34)/t22-/m0/s1
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n/an/an/an/a 195n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201041
PNG
(CHEMBL3916387)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H39N5O3/c35-24-8-4-2-1-3-6-14-30-29-31-20-25-26(21-34(27(25)32-29)15-7-5-9-24)22-10-12-23(13-11-22)28(36)33-16-18-37-19-17-33/h10-13,20-21,24,35H,1-9,14-19H2,(H,30,31,32)
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n/an/an/an/a 210n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201178
PNG
(CHEMBL3963528)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C28H39N5O4S/c34-23-8-4-2-1-3-6-14-29-28-30-20-25-26(21-32(27(25)31-28)15-7-5-9-23)22-10-12-24(13-11-22)38(35,36)33-16-18-37-19-17-33/h10-13,20-21,23,34H,1-9,14-19H2,(H,29,30,31)
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n/an/an/an/a 220n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201173
PNG
(CHEMBL3961597)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C28H40N6O/c1-32-15-17-33(18-16-32)20-22-9-11-23(12-10-22)26-21-34-14-6-8-24(35)7-4-2-3-5-13-29-28-30-19-25(26)27(34)31-28/h9-12,19,21,24,35H,2-8,13-18,20H2,1H3,(H,29,30,31)
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n/an/an/an/a 240n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270598
PNG
((S)-8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- ((...)
Show SMILES CCN1CCC(CC1)n1cc(nn1)[C@@H](Nc1cc(Cl)c2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccccc1
Show InChI InChI=1S/C30H29Cl2FN8/c1-2-40-12-10-22(11-13-40)41-17-27(38-39-41)28(19-6-4-3-5-7-19)36-21-14-23-29(25(32)16-21)34-18-35-30(23)37-20-8-9-26(33)24(31)15-20/h3-9,14-18,22,28,36H,2,10-13H2,1H3,(H,34,35,37)/t28-/m0/s1
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n/an/an/an/a 254n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201119
PNG
(CHEMBL3973830)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccncc1
Show InChI InChI=1S/C23H31N5O/c29-19-8-4-2-1-3-6-12-25-23-26-16-20-21(18-10-13-24-14-11-18)17-28(22(20)27-23)15-7-5-9-19/h10-11,13-14,16-17,19,29H,1-9,12,15H2,(H,25,26,27)
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n/an/an/an/a 260n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270571
PNG
((S)-N6-((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES CC1(CNc2ncnc3ccc(NC(c4cn(nn4)C4CC4)c4ccc(F)cc4)cc23)CCOCC1
Show InChI InChI=1S/C27H30FN7O/c1-27(10-12-36-13-11-27)16-29-26-22-14-20(6-9-23(22)30-17-31-26)32-25(18-2-4-19(28)5-3-18)24-15-35(34-33-24)21-7-8-21/h2-6,9,14-15,17,21,25,32H,7-8,10-13,16H2,1H3,(H,29,30,31)
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n/an/an/an/a 296n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270603
PNG
((S)-8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- (p...)
Show SMILES Fc1ccc(Nc2ncnc3c(Cl)cc(N[C@H](c4cn(nn4)C4CCNCC4)c4ccccc4)cc23)cc1Cl
Show InChI InChI=1S/C28H25Cl2FN8/c29-22-13-18(6-7-24(22)31)36-28-21-12-19(14-23(30)27(21)33-16-34-28)35-26(17-4-2-1-3-5-17)25-15-39(38-37-25)20-8-10-32-11-9-20/h1-7,12-16,20,26,32,35H,8-11H2,(H,33,34,36)/t26-/m0/s1
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n/an/an/an/a 337n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201168
PNG
(CHEMBL3932605)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1cccnc1
Show InChI InChI=1S/C23H31N5O/c29-19-10-4-2-1-3-6-13-25-23-26-16-20-21(18-9-8-12-24-15-18)17-28(22(20)27-23)14-7-5-11-19/h8-9,12,15-17,19,29H,1-7,10-11,13-14H2,(H,25,26,27)
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n/an/an/an/a 380n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201154
PNG
(CHEMBL3984314)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C32H48N6O/c1-36-19-21-37(22-20-36)24-26-13-15-27(16-14-26)30-25-38-18-10-6-8-12-28(39)11-7-4-2-3-5-9-17-33-32-34-23-29(30)31(38)35-32/h13-16,23,25,28,39H,2-12,17-22,24H2,1H3,(H,33,34,35)
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n/an/an/an/a 400n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50177856
PNG
(CHEMBL3814219)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C30H31N9O/c1-3-27(40)34-23-9-5-4-8-20(23)18-38-26-11-7-6-10-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)22-12-14-37(2)15-13-22/h3-11,16-17,19,22H,1,12-15,18H2,2H3,(H2,31,32)(H,34,40)
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n/an/an/an/a 420n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR autophosphorylation in human LoVo cells incubated for 2 hrs followed by EGF-stiumlation for 10 mins by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201045
PNG
(CHEMBL3925379)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(NC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C29H40N6O3/c36-24-8-4-2-1-3-6-14-30-28-31-20-25-26(21-35(27(25)33-28)15-7-5-9-24)22-10-12-23(13-11-22)32-29(37)34-16-18-38-19-17-34/h10-13,20-21,24,36H,1-9,14-19H2,(H,32,37)(H,30,31,33)
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n/an/an/an/a 490n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270604
PNG
((S)-8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- ((...)
Show SMILES CCN1CCC(CC1)n1cc(nn1)[C@@H](Nc1cc(Cl)c2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H28Cl3FN8/c1-2-41-11-9-22(10-12-41)42-16-27(39-40-42)28(18-3-5-19(31)6-4-18)37-21-13-23-29(25(33)15-21)35-17-36-30(23)38-20-7-8-26(34)24(32)14-20/h3-8,13-17,22,28,37H,2,9-12H2,1H3,(H,35,36,38)/t28-/m0/s1
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n/an/an/an/a 527n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270605
PNG
((S)-N6-((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES Fc1ccc(cc1)C(Nc1ccc2ncnc(Nc3cnc(F)c(F)c3)c2c1)c1cn(nn1)C1CC1
Show InChI InChI=1S/C25H19F3N8/c26-15-3-1-14(2-4-15)23(22-12-36(35-34-22)18-6-7-18)32-16-5-8-21-19(9-16)25(31-13-30-21)33-17-10-20(27)24(28)29-11-17/h1-5,8-13,18,23,32H,6-7H2,(H,30,31,33)
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n/an/an/an/a 645n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270579
PNG
((R)-4-((8-chloro-6- (((S)-(1-cyclopropyl- 1H-1,2,3...)
Show SMILES Fc1ccc(cc1)C(Nc1cc(Cl)c2ncnc(N[C@H](CCC#N)c3ccccc3)c2c1)c1cn(nn1)C1CC1
Show InChI InChI=1S/C30H26ClFN8/c31-25-16-22(36-28(20-8-10-21(32)11-9-20)27-17-40(39-38-27)23-12-13-23)15-24-29(25)34-18-35-30(24)37-26(7-4-14-33)19-5-2-1-3-6-19/h1-3,5-6,8-11,15-18,23,26,28,36H,4,7,12-13H2,(H,34,35,37)/t26-,28?/m1/s1
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n/an/an/an/a 671n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM50201174
PNG
(CHEMBL3969591)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C28H39N5O2/c34-24-8-4-2-1-3-6-14-29-28-30-20-25-26(21-33(27(25)31-28)15-7-5-9-24)22-10-12-23(13-11-22)32-16-18-35-19-17-32/h10-13,20-21,24,34H,1-9,14-19H2,(H,29,30,31)
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n/an/an/an/a 690n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50177907
PNG
(CHEMBL3814884)
Show SMILES CC(C)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C31H33N9O/c1-4-28(41)35-22-8-7-9-24(16-22)40-27-11-6-5-10-25(27)37-31(40)29-30(32)33-18-26(36-29)21-17-34-39(19-21)23-12-14-38(15-13-23)20(2)3/h4-11,16-20,23H,1,12-15H2,2-3H3,(H2,32,33)(H,35,41)
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n/an/an/an/a 760n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR autophosphorylation in human LoVo cells incubated for 2 hrs followed by EGF-stiumlation for 10 mins by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM270572
PNG
(N6-((S)-(1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES CC[C@@H](Nc1ncnc2ccc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12)c1ccccc1
Show InChI InChI=1S/C29H28FN7/c1-2-25(19-6-4-3-5-7-19)34-29-24-16-22(12-15-26(24)31-18-32-29)33-28(20-8-10-21(30)11-9-20)27-17-37(36-35-27)23-13-14-23/h3-12,15-18,23,25,28,33H,2,13-14H2,1H3,(H,31,32,34)/t25-,28?/m1/s1
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n/an/an/an/a 796n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50177903
PNG
(CHEMBL3814825)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C29H29N9O/c1-3-26(39)33-20-7-6-8-22(15-20)38-25-10-5-4-9-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-11-13-36(2)14-12-21/h3-10,15-18,21H,1,11-14H2,2H3,(H2,30,31)(H,33,39)
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n/an/an/an/a 980n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR autophosphorylation in human LoVo cells incubated for 2 hrs followed by EGF-stiumlation for 10 mins by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM202376
PNG
(US10081606, Compound I-8 | US9238629, I-8)
Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H21BrN4O5/c1-5-18(28)25-13-7-6-8-14(11-13)32-21-15(23)12-24-22(27-21)26-16-9-10-17(29-2)20(31-4)19(16)30-3/h5-12H,1H2,2-4H3,(H,25,28)(H,24,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair
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