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PubMed code 30563338

Compile data set for download or QSAR
Found 66 hits of Enzyme Inhibition Constant Data   
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
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508008
PNG
(CHEMBL4438379)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)N1CCC(CC1)c1ncnc2cc(cnc12)N1CCOCC1
Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-19-3-1-17(2-4-19)23(33)32-7-5-16(6-8-32)21-22-20(29-15-30-21)13-18(14-28-22)31-9-11-34-12-10-31/h1-4,13-16H,5-12H2
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508013
PNG
(CHEMBL4541479)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(c2n1)S(C)(=O)=O)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507989
PNG
(CHEMBL4445670)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507990
PNG
(CHEMBL4469661)
Show SMILES COc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C22H21F3N4O3/c1-31-14-2-5-17-19(11-14)27-12-28-20(17)13-6-8-29(9-7-13)21(30)16-4-3-15(10-18(16)26)32-22(23,24)25/h2-5,10-13H,6-9,26H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508009
PNG
(CHEMBL4550589)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H27F3N6O2/c1-32-10-12-33(13-11-32)19-14-21-23(29-15-19)22(31-16-30-21)17-6-8-34(9-7-17)24(35)18-2-4-20(5-3-18)36-25(26,27)28/h2-5,14-17H,6-13H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508007
PNG
(CHEMBL4542723)
Show SMILES CN(C)C1CCN(C1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H29F3N6O2/c1-33(2)19-9-12-35(15-19)20-13-22-24(30-14-20)23(32-16-31-22)17-7-10-34(11-8-17)25(36)18-3-5-21(6-4-18)37-26(27,28)29/h3-6,13-14,16-17,19H,7-12,15H2,1-2H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508012
PNG
(CHEMBL4526317)
Show SMILES CC1(O)CCN(C1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H26F3N5O3/c1-24(35)8-11-33(14-24)18-12-20-22(29-13-18)21(31-15-30-20)16-6-9-32(10-7-16)23(34)17-2-4-19(5-3-17)36-25(26,27)28/h2-5,12-13,15-16,35H,6-11,14H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508013
PNG
(CHEMBL4541479)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(c2n1)S(C)(=O)=O)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507996
PNG
(CHEMBL4441182)
Show SMILES COc1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H19F3N4O3/c1-30-16-10-17-19(25-11-16)18(27-12-26-17)13-6-8-28(9-7-13)20(29)14-2-4-15(5-3-14)31-21(22,23)24/h2-5,10-13H,6-9H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508014
PNG
(CHEMBL4450479)
Show SMILES COc1ccc2c(ccnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H21F3N2O3/c1-30-18-6-7-20-19(8-11-27-21(20)14-18)15-9-12-28(13-10-15)22(29)16-2-4-17(5-3-16)31-23(24,25)26/h2-8,11,14-15H,9-10,12-13H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507989
PNG
(CHEMBL4445670)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507991
PNG
(CHEMBL4450712)
Show SMILES COc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O3/c1-30-17-6-7-18-19(12-17)26-13-27-20(18)14-8-10-28(11-9-14)21(29)15-2-4-16(5-3-15)31-22(23,24)25/h2-7,12-14H,8-11H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508008
PNG
(CHEMBL4438379)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)N1CCC(CC1)c1ncnc2cc(cnc12)N1CCOCC1
Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-19-3-1-17(2-4-19)23(33)32-7-5-16(6-8-32)21-22-20(29-15-30-21)13-18(14-28-22)31-9-11-34-12-10-31/h1-4,13-16H,5-12H2
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507990
PNG
(CHEMBL4469661)
Show SMILES COc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C22H21F3N4O3/c1-31-14-2-5-17-19(11-14)27-12-28-20(17)13-6-8-29(9-7-13)21(30)16-4-3-15(10-18(16)26)32-22(23,24)25/h2-5,10-13H,6-9,26H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508006
PNG
(CHEMBL4544067)
Show SMILES COc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)c(N)c1
Show InChI InChI=1S/C22H21F3N4O3/c1-31-15-3-4-16-18(11-15)27-12-28-20(16)13-6-8-29(9-7-13)21(30)14-2-5-19(17(26)10-14)32-22(23,24)25/h2-5,10-13H,6-9,26H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50337134
PNG
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507994
PNG
(CHEMBL4582824)
Show SMILES Cc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O2/c1-14-2-7-18-19(12-14)26-13-27-20(18)15-8-10-28(11-9-15)21(29)16-3-5-17(6-4-16)30-22(23,24)25/h2-7,12-13,15H,8-11H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508012
PNG
(CHEMBL4526317)
Show SMILES CC1(O)CCN(C1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H26F3N5O3/c1-24(35)8-11-33(14-24)18-12-20-22(29-13-18)21(31-15-30-20)16-6-9-32(10-7-16)23(34)17-2-4-19(5-3-17)36-25(26,27)28/h2-5,12-13,15-16,35H,6-11,14H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508025
PNG
(CHEMBL4535758)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1OC
Show InChI InChI=1S/C23H22F3N3O4/c1-31-19-11-17-18(12-20(19)32-2)27-13-28-21(17)14-7-9-29(10-8-14)22(30)15-3-5-16(6-4-15)33-23(24,25)26/h3-6,11-14H,7-10H2,1-2H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508009
PNG
(CHEMBL4550589)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H27F3N6O2/c1-32-10-12-33(13-11-32)19-14-21-23(29-15-19)22(31-16-30-21)17-6-8-34(9-7-17)24(35)18-2-4-20(5-3-18)36-25(26,27)28/h2-5,14-17H,6-13H2,1H3
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n/an/a 290n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508017
PNG
(CHEMBL4446192)
Show SMILES COc1ccc(cc1)C(=O)N1CCC(CC1)c1ncnc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H25N3O4/c1-28-17-6-4-16(5-7-17)23(27)26-10-8-15(9-11-26)22-18-12-20(29-2)21(30-3)13-19(18)24-14-25-22/h4-7,12-15H,8-11H2,1-3H3
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n/an/a 350n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508006
PNG
(CHEMBL4544067)
Show SMILES COc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)c(N)c1
Show InChI InChI=1S/C22H21F3N4O3/c1-31-15-3-4-16-18(11-15)27-12-28-20(16)13-6-8-29(9-7-13)21(30)14-2-5-19(17(26)10-14)32-22(23,24)25/h2-5,10-13H,6-9,26H2,1H3
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n/an/a 360n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508000
PNG
(CHEMBL4466294)
Show SMILES CCOc1ccc(cc1)C(=O)N1CCC(CC1)c1ncnc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C24H27N3O4/c1-4-31-18-7-5-17(6-8-18)24(28)27-11-9-16(10-12-27)23-19-13-21(29-2)22(30-3)14-20(19)25-15-26-23/h5-8,13-16H,4,9-12H2,1-3H3
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n/an/a 380n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507991
PNG
(CHEMBL4450712)
Show SMILES COc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O3/c1-30-17-6-7-18-19(12-17)26-13-27-20(18)14-8-10-28(11-9-14)21(29)15-2-4-16(5-3-15)31-22(23,24)25/h2-7,12-14H,8-11H2,1H3
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n/an/a 420n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508001
PNG
(CHEMBL4565352)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C23H22F3N3O3/c1-31-19-11-17-18(12-20(19)32-2)27-13-28-21(17)14-7-9-29(10-8-14)22(30)15-3-5-16(6-4-15)23(24,25)26/h3-6,11-14H,7-10H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507996
PNG
(CHEMBL4441182)
Show SMILES COc1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H19F3N4O3/c1-30-16-10-17-19(25-11-16)18(27-12-26-17)13-6-8-28(9-7-13)20(29)14-2-4-15(5-3-14)31-21(22,23)24/h2-5,10-13H,6-9H2,1H3
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n/an/a 540n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508007
PNG
(CHEMBL4542723)
Show SMILES CN(C)C1CCN(C1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H29F3N6O2/c1-33(2)19-9-12-35(15-19)20-13-22-24(30-14-20)23(32-16-31-22)17-7-10-34(11-8-17)25(36)18-3-5-21(6-4-18)37-26(27,28)29/h3-6,13-14,16-17,19H,7-12,15H2,1-2H3
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n/an/a 670n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508014
PNG
(CHEMBL4450479)
Show SMILES COc1ccc2c(ccnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H21F3N2O3/c1-30-18-6-7-20-19(8-11-27-21(20)14-18)15-9-12-28(13-10-15)22(29)16-2-4-17(5-3-16)31-23(24,25)26/h2-8,11,14-15H,9-10,12-13H2,1H3
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n/an/a 710n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508022
PNG
(CHEMBL4520598)
Show SMILES Cc1ccc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2c1
Show InChI InChI=1S/C22H20F3N3O2/c1-14-2-7-19-18(12-14)20(27-13-26-19)15-8-10-28(11-9-15)21(29)16-3-5-17(6-4-16)30-22(23,24)25/h2-7,12-13,15H,8-11H2,1H3
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n/an/a 760n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507988
PNG
(CHEMBL4545407)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(C)C)cc3)c2cc1OC
Show InChI InChI=1S/C25H29N3O4/c1-16(2)32-19-7-5-18(6-8-19)25(29)28-11-9-17(10-12-28)24-20-13-22(30-3)23(31-4)14-21(20)26-15-27-24/h5-8,13-17H,9-12H2,1-4H3
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n/an/a 920n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508010
PNG
(CHEMBL4468045)
Show SMILES COc1ccc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2c1
Show InChI InChI=1S/C22H20F3N3O3/c1-30-17-6-7-19-18(12-17)20(27-13-26-19)14-8-10-28(11-9-14)21(29)15-2-4-16(5-3-15)31-22(23,24)25/h2-7,12-14H,8-11H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508024
PNG
(CHEMBL4468249)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)nc3)c2cc1OC
Show InChI InChI=1S/C22H21F3N4O4/c1-31-17-9-15-16(10-18(17)32-2)27-12-28-20(15)13-5-7-29(8-6-13)21(30)14-3-4-19(26-11-14)33-22(23,24)25/h3-4,9-13H,5-8H2,1-2H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508005
PNG
(CHEMBL4515161)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cn3)c2cc1OC
Show InChI InChI=1S/C22H21F3N4O4/c1-31-18-9-15-17(10-19(18)32-2)27-12-28-20(15)13-5-7-29(8-6-13)21(30)16-4-3-14(11-26-16)33-22(23,24)25/h3-4,9-13H,5-8H2,1-2H3
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n/an/a 1.63E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508011
PNG
(CHEMBL4455302)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(C)cc3)c2cc1OC
Show InChI InChI=1S/C23H25N3O3/c1-15-4-6-17(7-5-15)23(27)26-10-8-16(9-11-26)22-18-12-20(28-2)21(29-3)13-19(18)24-14-25-22/h4-7,12-14,16H,8-11H2,1-3H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507987
PNG
(CHEMBL4550759)
Show SMILES COc1cc2c(ncnc2cn1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H19F3N4O3/c1-30-18-10-16-17(11-25-18)26-12-27-19(16)13-6-8-28(9-7-13)20(29)14-2-4-15(5-3-14)31-21(22,23)24/h2-5,10-13H,6-9H2,1H3
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n/an/a 2.17E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508002
PNG
(CHEMBL4563747)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C22H22FN3O3/c1-28-19-11-17-18(12-20(19)29-2)24-13-25-21(17)14-7-9-26(10-8-14)22(27)15-3-5-16(23)6-4-15/h3-6,11-14H,7-10H2,1-2H3
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n/an/a 2.75E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507988
PNG
(CHEMBL4545407)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(C)C)cc3)c2cc1OC
Show InChI InChI=1S/C25H29N3O4/c1-16(2)32-19-7-5-18(6-8-19)25(29)28-11-9-17(10-12-28)24-20-13-22(30-3)23(31-4)14-21(20)26-15-27-24/h5-8,13-17H,9-12H2,1-4H3
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n/an/a 3.75E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507997
PNG
(CHEMBL4450762)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1OC
Show InChI InChI=1S/C22H21F3N4O4/c1-31-18-11-16-17(12-19(18)32-2)26-13-27-20(16)28-7-9-29(10-8-28)21(30)14-3-5-15(6-4-14)33-22(23,24)25/h3-6,11-13H,7-10H2,1-2H3
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n/an/a 3.89E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508010
PNG
(CHEMBL4468045)
Show SMILES COc1ccc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2c1
Show InChI InChI=1S/C22H20F3N3O3/c1-30-17-6-7-19-18(12-17)20(27-13-26-19)14-8-10-28(11-9-14)21(29)15-2-4-16(5-3-15)31-22(23,24)25/h2-7,12-14H,8-11H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508018
PNG
(CHEMBL4573138)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(cc3)C(C)(C)C)c2cc1OC
Show InChI InChI=1S/C26H31N3O3/c1-26(2,3)19-8-6-18(7-9-19)25(30)29-12-10-17(11-13-29)24-20-14-22(31-4)23(32-5)15-21(20)27-16-28-24/h6-9,14-17H,10-13H2,1-5H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508020
PNG
(CHEMBL4455582)
Show SMILES CN1CCN(CC1)c1cnc2c(nc(C)nc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C26H30F3N7O2/c1-16-32-22-13-18(35-11-9-34(2)10-12-35)15-31-24(22)23(33-16)17-5-7-36(8-6-17)25(37)20-4-3-19(14-21(20)30)38-26(27,28)29/h3-4,13-15,17H,5-12,30H2,1-2H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507995
PNG
(CHEMBL4465121)
Show SMILES COc1ccc2c(ncnc2n1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H19F3N4O3/c1-30-17-7-6-16-18(25-12-26-19(16)27-17)13-8-10-28(11-9-13)20(29)14-2-4-15(5-3-14)31-21(22,23)24/h2-7,12-13H,8-11H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508023
PNG
(CHEMBL4584254)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3cccc(OC(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C23H22F3N3O4/c1-31-19-11-17-18(12-20(19)32-2)27-13-28-21(17)14-6-8-29(9-7-14)22(30)15-4-3-5-16(10-15)33-23(24,25)26/h3-5,10-14H,6-9H2,1-2H3
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n/an/a 7.09E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508024
PNG
(CHEMBL4468249)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)nc3)c2cc1OC
Show InChI InChI=1S/C22H21F3N4O4/c1-31-17-9-15-16(10-18(17)32-2)27-12-28-20(15)13-5-7-29(8-6-13)21(30)14-3-4-19(26-11-14)33-22(23,24)25/h3-4,9-13H,5-8H2,1-2H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508021
PNG
(CHEMBL4437100)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(cc3)C#N)c2cc1OC
Show InChI InChI=1S/C23H22N4O3/c1-29-20-11-18-19(12-21(20)30-2)25-14-26-22(18)16-7-9-27(10-8-16)23(28)17-5-3-15(13-24)4-6-17/h3-6,11-12,14,16H,7-10H2,1-2H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507987
PNG
(CHEMBL4550759)
Show SMILES COc1cc2c(ncnc2cn1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H19F3N4O3/c1-30-18-10-16-17(11-25-18)26-12-27-19(16)13-6-8-28(9-7-13)20(29)14-2-4-15(5-3-14)31-21(22,23)24/h2-5,10-13H,6-9H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50507989
PNG
(CHEMBL4445670)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERG expressed in HEK293 cells at -80 mV holding potential by automated voltage-clamp assay

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508020
PNG
(CHEMBL4455582)
Show SMILES CN1CCN(CC1)c1cnc2c(nc(C)nc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C26H30F3N7O2/c1-16-32-22-13-18(35-11-9-34(2)10-12-35)15-31-24(22)23(33-16)17-5-7-36(8-6-17)25(37)20-4-3-19(14-21(20)30)38-26(27,28)29/h3-4,13-15,17H,5-12,30H2,1-2H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508015
PNG
(CHEMBL4470337)
Show SMILES Cc1cccc2c(ncnc12)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O2/c1-14-3-2-4-18-19(14)26-13-27-20(18)15-9-11-28(12-10-15)21(29)16-5-7-17(8-6-16)30-22(23,24)25/h2-8,13,15H,9-12H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508011
PNG
(CHEMBL4455302)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(C)cc3)c2cc1OC
Show InChI InChI=1S/C23H25N3O3/c1-15-4-6-17(7-5-15)23(27)26-10-8-16(9-11-26)22-18-12-20(28-2)21(29-3)13-19(18)24-14-25-22/h4-7,12-14,16H,8-11H2,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507992
PNG
(CHEMBL4459339)
Show SMILES COc1ccc2c(nccc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H21F3N2O3/c1-30-19-6-7-20-17(14-19)8-11-27-21(20)15-9-12-28(13-10-15)22(29)16-2-4-18(5-3-16)31-23(24,25)26/h2-8,11,14-15H,9-10,12-13H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508004
PNG
(CHEMBL4468512)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OCCN(C)C)cc3)c2cc1OC
Show InChI InChI=1S/C26H32N4O4/c1-29(2)13-14-34-20-7-5-19(6-8-20)26(31)30-11-9-18(10-12-30)25-21-15-23(32-3)24(33-4)16-22(21)27-17-28-25/h5-8,15-18H,9-14H2,1-4H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50507989
PNG
(CHEMBL4445670)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507999
PNG
(CHEMBL4569173)
Show SMILES COc1cc2ncnc(C3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)c2cc1OC
Show InChI InChI=1S/C23H24F3N3O3/c1-30-20-11-18-19(12-21(20)31-2)27-14-28-22(18)16-7-9-29(10-8-16)13-15-3-5-17(6-4-15)32-23(24,25)26/h3-6,11-12,14,16H,7-10,13H2,1-2H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507998
PNG
(CHEMBL4587463)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccccc3OC(F)(F)F)c2cc1OC
Show InChI InChI=1S/C23H22F3N3O4/c1-31-19-11-16-17(12-20(19)32-2)27-13-28-21(16)14-7-9-29(10-8-14)22(30)15-5-3-4-6-18(15)33-23(24,25)26/h3-6,11-14H,7-10H2,1-2H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50507989
PNG
(CHEMBL4445670)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50507989
PNG
(CHEMBL4445670)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508003
PNG
(CHEMBL4582719)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OCCO)cc3)c2cc1OC
Show InChI InChI=1S/C24H27N3O5/c1-30-21-13-19-20(14-22(21)31-2)25-15-26-23(19)16-7-9-27(10-8-16)24(29)17-3-5-18(6-4-17)32-12-11-28/h3-6,13-16,28H,7-12H2,1-2H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50507989
PNG
(CHEMBL4445670)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated with compound and measured by LC-MS/MS analysis

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508026
PNG
(CHEMBL4447683)
Show SMILES COc1cc2ncnc(N3CCCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1OC
Show InChI InChI=1S/C23H23F3N4O4/c1-32-19-12-17-18(13-20(19)33-2)27-14-28-21(17)29-8-3-9-30(11-10-29)22(31)15-4-6-16(7-5-15)34-23(24,25)26/h4-7,12-14H,3,8-11H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50507989
PNG
(CHEMBL4445670)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508016
PNG
(CHEMBL4445175)
Show SMILES COc1cc2ncnc(C3=CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1OC |t:9|
Show InChI InChI=1S/C23H20F3N3O4/c1-31-19-11-17-18(12-20(19)32-2)27-13-28-21(17)14-7-9-29(10-8-14)22(30)15-3-5-16(6-4-15)33-23(24,25)26/h3-7,11-13H,8-10H2,1-2H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507993
PNG
(CHEMBL4445067)
Show SMILES Cc1nc(C2CCN(CC2)C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2n1
Show InChI InChI=1S/C22H20F3N3O2/c1-14-26-19-5-3-2-4-18(19)20(27-14)15-10-12-28(13-11-15)21(29)16-6-8-17(9-7-16)30-22(23,24)25/h2-9,15H,10-13H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50508019
PNG
(CHEMBL4471256)
Show SMILES COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(cc3)S(C)(=O)=O)c2cc1OC
Show InChI InChI=1S/C23H25N3O5S/c1-30-20-12-18-19(13-21(20)31-2)24-14-25-22(18)15-8-10-26(11-9-15)23(27)16-4-6-17(7-5-16)32(3,28)29/h4-7,12-15H,8-11H2,1-3H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50507989
PNG
(CHEMBL4445670)
Show SMILES CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
Show InChI InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))		BDBM50507992
PNG
(CHEMBL4459339)
Show SMILES COc1ccc2c(nccc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H21F3N2O3/c1-30-19-6-7-20-17(14-19)8-11-27-21(20)15-9-12-28(13-10-15)22(29)16-2-4-18(5-3-16)31-23(24,25)26/h2-8,11,14-15H,9-10,12-13H2,1H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measurin...

J Med Chem 62: 928-940 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01606
BindingDB Entry DOI: 10.7270/Q2FN19H1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%