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Compile Data Set for Download or QSAR

Found 520 hits Enz. Inhib. hit(s) with Target = 'MER intracellular domain/EGFR extracellular domain chimera'   
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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201042
PNG
(CHEMBL3955697)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccccc1
Show InChI InChI=1S/C24H32N4O/c29-20-13-7-2-1-3-9-15-25-24-26-17-21-22(19-11-5-4-6-12-19)18-28(23(21)27-24)16-10-8-14-20/h4-6,11-12,17-18,20,29H,1-3,7-10,13-16H2,(H,25,26,27)
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201074
PNG
(CHEMBL3934278)
Show SMILES COc1ccc(cc1)-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
Show InChI InChI=1S/C25H34N4O2/c1-31-21-13-11-19(12-14-21)23-18-29-16-8-6-10-20(30)9-5-3-2-4-7-15-26-25-27-17-22(23)24(29)28-25/h11-14,17-18,20,30H,2-10,15-16H2,1H3,(H,26,27,28)
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201149
PNG
(CHEMBL3915275)
Show SMILES COc1cccc(c1)-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
Show InChI InChI=1S/C25H34N4O2/c1-31-21-13-9-10-19(16-21)23-18-29-15-8-6-12-20(30)11-5-3-2-4-7-14-26-25-27-17-22(23)24(29)28-25/h9-10,13,16-18,20,30H,2-8,11-12,14-15H2,1H3,(H,26,27,28)
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201175
PNG
(CHEMBL3961508)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C28H40N8O/c1-34-14-16-35(17-15-34)19-21-7-9-22(10-8-21)24-20-36-13-5-2-6-25(29)27(37)30-11-3-4-12-31-28-32-18-23(24)26(36)33-28/h7-10,18,20,25H,2-6,11-17,19,29H2,1H3,(H,30,37)(H,31,32,33)/t25-/m0/s1
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201150
PNG
(CHEMBL3898397)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccccn1
Show InChI InChI=1S/C23H31N5O/c29-18-10-4-2-1-3-7-14-25-23-26-16-19-20(21-12-5-8-13-24-21)17-28(22(19)27-23)15-9-6-11-18/h5,8,12-13,16-18,29H,1-4,6-7,9-11,14-15H2,(H,25,26,27)
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201040
PNG
(CHEMBL3935102)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCC[C@H](N)C(=O)NCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C29H42N8O/c1-35-15-17-36(18-16-35)20-22-8-10-23(11-9-22)25-21-37-14-6-7-26(30)28(38)31-12-4-2-3-5-13-32-29-33-19-24(25)27(37)34-29/h8-11,19,21,26H,2-7,12-18,20,30H2,1H3,(H,31,38)(H,32,33,34)/t26-/m0/s1
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201079
PNG
(CHEMBL3923652)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)C1CCOCC1
Show InChI InChI=1S/C23H36N4O2/c28-19-8-4-2-1-3-6-12-24-23-25-16-20-21(18-10-14-29-15-11-18)17-27(22(20)26-23)13-7-5-9-19/h16-19,28H,1-15H2,(H,24,25,26)
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201166
PNG
(CHEMBL3906299)
Show SMILES OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(F)cc1
Show InChI InChI=1S/C24H31FN4O/c25-19-12-10-18(11-13-19)22-17-29-15-7-5-9-20(30)8-4-2-1-3-6-14-26-24-27-16-21(22)23(29)28-24/h10-13,16-17,20,30H,1-9,14-15H2,(H,26,27,28)
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201176
PNG
(CHEMBL3943243)
Show SMILES COc1ccccc1-c1cn2CCCCC(O)CCCCCCCNc3ncc1c2n3
Show InChI InChI=1S/C25H34N4O2/c1-31-23-14-7-6-13-20(23)22-18-29-16-10-8-12-19(30)11-5-3-2-4-9-15-26-25-27-17-21(22)24(29)28-25/h6-7,13-14,17-19,30H,2-5,8-12,15-16H2,1H3,(H,26,27,28)
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201167
PNG
(CHEMBL3973561)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C27H38N8O/c1-33-13-15-34(16-14-33)18-20-6-8-21(9-7-20)23-19-35-12-4-5-24(28)26(36)29-10-2-3-11-30-27-31-17-22(23)25(35)32-27/h6-9,17,19,24H,2-5,10-16,18,28H2,1H3,(H,29,36)(H,30,31,32)/t24-/m0/s1
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50201044
PNG
(CHEMBL3962587)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCC[C@H](N)C(=O)NCCCCCCCCNc4ncc2c3n4)CC1
Show InChI InChI=1S/C31H46N8O/c1-37-17-19-38(20-18-37)22-24-10-12-25(13-11-24)27-23-39-16-8-9-28(32)30(40)33-14-6-4-2-3-5-7-15-34-31-35-21-26(27)29(39)36-31/h10-13,21,23,28H,2-9,14-20,22,32H2,1H3,(H,33,40)(H,34,35,36)/t28-/m0/s1
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n/an/an/an/a>1.00E+3n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50055499
PNG
(CHEMBL3326002)
Show SMILES CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C25H34N6O4S/c1-2-3-12-26-25-27-17-22-23(29-31(24(22)28-25)19-6-8-20(32)9-7-19)18-4-10-21(11-5-18)36(33,34)30-13-15-35-16-14-30/h4-5,10-11,17,19-20,32H,2-3,6-9,12-16H2,1H3,(H,26,27,28)/t19-,20-
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0.330n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Mer (unknown origin) by Off-chip Mobility Shift Assay


J Med Chem 57: 7031-41 (2014)


Article DOI: 10.1021/jm500749d
BindingDB Entry DOI: 10.7270/Q2K075XQ
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384584
PNG
(CHEMBL2036807)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1
Show InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-31(36-30)34-16-4-7-23-5-2-1-3-6-23)29(37-39)25-10-14-27(15-11-25)38-19-17-33-18-20-38/h1-3,5-6,10-11,14-15,21,24,26,33H,4,7-9,12-13,16-20,22,32H2,(H,34,35,36)/t24-,26-
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0.560n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384583
PNG
(CHEMBL2036806)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11-7-20)33-15-13-28-14-16-33)32-34(25(23)31-26)18-19-4-8-21(27)9-5-19/h6-7,10-11,17,19,21,28H,2-5,8-9,12-16,18,27H2,1H3,(H,29,30,31)/t19-,21-
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0.730n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384582
PNG
(CHEMBL2036805)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1
Show InChI InChI=1S/C30H39N9/c31-25-11-8-23(9-12-25)21-39-29-26(20-35-30(36-29)33-14-4-7-22-5-2-1-3-6-22)28(37-39)24-10-13-27(34-19-24)38-17-15-32-16-18-38/h1-3,5-6,10,13,19-20,23,25,32H,4,7-9,11-12,14-18,21,31H2,(H,33,35,36)/t23-,25-
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384585
PNG
(CHEMBL2036809)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc23)CC1
Show InChI InChI=1S/C27H31FN6/c28-22-12-10-21(11-13-22)25-24-17-31-27(30-16-4-7-19-5-2-1-3-6-19)32-26(24)34(33-25)18-20-8-14-23(29)15-9-20/h1-3,5-6,10-13,17,20,23H,4,7-9,14-16,18,29H2,(H,30,31,32)/t20-,23-
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384581
PNG
(CHEMBL2036804)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C25H37N9/c1-2-3-10-28-25-30-16-21-23(19-6-9-22(29-15-19)33-13-11-27-12-14-33)32-34(24(21)31-25)17-18-4-7-20(26)8-5-18/h6,9,15-16,18,20,27H,2-5,7-8,10-14,17,26H2,1H3,(H,28,30,31)/t18-,20-
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2.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50431278
PNG
(CHEMBL2348264)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccc(cc3)C(F)(F)F)c2=O)ccc1Oc1ncnc2nc[nH]c12
Show InChI InChI=1S/C24H14F4N6O3/c25-17-10-14(5-8-18(17)37-22-19-20(30-11-29-19)31-12-32-22)33-21(35)16-2-1-9-34(23(16)36)15-6-3-13(4-7-15)24(26,27)28/h1-12H,(H,33,35)(H,29,30,31,32)
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n/an/an/a 260n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to MER (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50431279
PNG
(CHEMBL2346680)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Show InChI InChI=1S/C23H14F2N6O3/c24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
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n/an/an/a 42n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to MER (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50431280
PNG
(CHEMBL2348263)
Show SMILES Fc1cccc(c1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Show InChI InChI=1S/C23H14F2N6O3/c24-13-3-1-4-15(9-13)31-8-2-5-16(23(31)33)21(32)30-14-6-7-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
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n/an/an/a 190n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to MER (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50113707
PNG
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of MER (588 to 855) (unknown origin) by fluorescence assay


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 2.90n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of MER (unknown origin)


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/an/a 1.40E+3n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to MER (unknown origin)


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
MERTK


(Homo sapiens)
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/an/a 8.70E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q279432J
More data for this
Ligand-Target Pair
MERTK


(Homo sapiens)
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 3.70E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q279432J
More data for this
Ligand-Target Pair
MERTK


(Homo sapiens)
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 3.70E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q279432J
More data for this
Ligand-Target Pair
MERTK


(Homo sapiens)
BDBM25118
PNG
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
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n/an/an/a 1.80E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q279432J
More data for this
Ligand-Target Pair
MERTK


(Homo sapiens)
BDBM31090
PNG
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
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n/an/an/a 1.30E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q279432J
More data for this
Ligand-Target Pair
MERTK


(Homo sapiens)
BDBM31099
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S)-3-hydroxy...)
Show SMILES CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12?,17-/m1/s1
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n/an/an/a 6.80E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q279432J
More data for this
Ligand-Target Pair
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