Found 154 hits of kd data for polymerid = 50003818 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553821
(CHEMBL4741134)Show SMILES CCOc1ccc(cc1)-n1nnc2cnc(Nc3cnn(c3)C3CCN(C)CC3)nc12 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system by kinomescan method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553820
(CHEMBL4786970)Show SMILES CN1CCC(CC1)n1cc(Nc2ncc3nnn(-c4ccn(C)n4)c3n2)cn1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system by kinomescan method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553817
(CHEMBL4740226)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@@H]3CC[C@@H](N)C3)nc12 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553824
(CHEMBL4759319)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:19.20,wD:16.16,(16.13,-43.94,;14.62,-44.27,;14.16,-45.74,;15.2,-46.88,;14.73,-48.34,;13.22,-48.66,;12.19,-47.54,;12.65,-46.07,;12.76,-50.13,;13.67,-51.37,;12.77,-52.62,;11.3,-52.15,;9.96,-52.93,;8.63,-52.16,;8.63,-50.62,;7.3,-49.85,;7.3,-48.31,;8.63,-47.55,;8.64,-46.01,;7.31,-45.24,;7.31,-43.7,;5.97,-46,;5.97,-47.55,;9.96,-49.85,;11.29,-50.61,)| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553824
(CHEMBL4759319)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:19.20,wD:16.16,(16.13,-43.94,;14.62,-44.27,;14.16,-45.74,;15.2,-46.88,;14.73,-48.34,;13.22,-48.66,;12.19,-47.54,;12.65,-46.07,;12.76,-50.13,;13.67,-51.37,;12.77,-52.62,;11.3,-52.15,;9.96,-52.93,;8.63,-52.16,;8.63,-50.62,;7.3,-49.85,;7.3,-48.31,;8.63,-47.55,;8.64,-46.01,;7.31,-45.24,;7.31,-43.7,;5.97,-46,;5.97,-47.55,;9.96,-49.85,;11.29,-50.61,)| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to LPP-dephosphorylated recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM6568
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553819
(CHEMBL4755149)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@@H]3CCN(C3)c3ccncc3)nc12 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system by kinomescan method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553817
(CHEMBL4740226)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@@H]3CC[C@@H](N)C3)nc12 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Sf21 insect cells by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553816
(CHEMBL4784697)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](CN)CC3)nc12 |r,wU:19.20,wD:16.16,(33.12,-45.27,;31.61,-45.6,;31.15,-47.06,;32.19,-48.2,;31.72,-49.67,;30.21,-49.99,;29.18,-48.86,;29.64,-47.4,;29.75,-51.45,;30.66,-52.7,;29.76,-53.95,;28.29,-53.48,;26.95,-54.26,;25.62,-53.49,;25.62,-51.95,;24.29,-51.18,;24.29,-49.64,;25.62,-48.87,;25.63,-47.34,;24.3,-46.56,;24.3,-45.02,;25.64,-44.26,;22.96,-47.33,;22.95,-48.87,;26.95,-51.18,;28.28,-51.94,)| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system by kinomescan method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553822
(CHEMBL4757911)Show SMILES CN1CCC(CC1)n1cc(Nc2ncc3nnn(-c4ccc(F)cc4C#N)c3n2)cn1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system by kinomescan method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553817
(CHEMBL4740226)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@@H]3CC[C@@H](N)C3)nc12 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system by kinomescan method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50440018
(CHEMBL2425628)Show SMILES CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)| Show InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21- | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to ERK3 (unknown origin) |
Bioorg Med Chem Lett 23: 1486-92 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.047 BindingDB Entry DOI: 10.7270/Q20003HK |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553817
(CHEMBL4740226)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@@H]3CC[C@@H](N)C3)nc12 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to LPP-dephosphorylated recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB MMDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB MMDB
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| PCBioAssay
| n/a | n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/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/Q23R0R7C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB MMDB
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| PCBioAssay
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/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/Q23R0R7C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB MMDB
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553816
(CHEMBL4784697)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](CN)CC3)nc12 |r,wU:19.20,wD:16.16,(33.12,-45.27,;31.61,-45.6,;31.15,-47.06,;32.19,-48.2,;31.72,-49.67,;30.21,-49.99,;29.18,-48.86,;29.64,-47.4,;29.75,-51.45,;30.66,-52.7,;29.76,-53.95,;28.29,-53.48,;26.95,-54.26,;25.62,-53.49,;25.62,-51.95,;24.29,-51.18,;24.29,-49.64,;25.62,-48.87,;25.63,-47.34,;24.3,-46.56,;24.3,-45.02,;25.64,-44.26,;22.96,-47.33,;22.95,-48.87,;26.95,-51.18,;28.28,-51.94,)| | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to LPP-dephosphorylated recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553824
(CHEMBL4759319)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:19.20,wD:16.16,(16.13,-43.94,;14.62,-44.27,;14.16,-45.74,;15.2,-46.88,;14.73,-48.34,;13.22,-48.66,;12.19,-47.54,;12.65,-46.07,;12.76,-50.13,;13.67,-51.37,;12.77,-52.62,;11.3,-52.15,;9.96,-52.93,;8.63,-52.16,;8.63,-50.62,;7.3,-49.85,;7.3,-48.31,;8.63,-47.55,;8.64,-46.01,;7.31,-45.24,;7.31,-43.7,;5.97,-46,;5.97,-47.55,;9.96,-49.85,;11.29,-50.61,)| | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Sf21 insect cells by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553815
(CHEMBL4794701)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12 |r,wU:19.23,wD:16.16,(44.83,-29.2,;43.32,-29.53,;42.86,-31,;43.9,-32.14,;43.43,-33.6,;41.92,-33.92,;40.89,-32.8,;41.35,-31.33,;41.46,-35.39,;42.37,-36.63,;41.47,-37.88,;40,-37.41,;38.66,-38.19,;37.33,-37.42,;37.33,-35.88,;36,-35.11,;36,-33.57,;37.33,-32.8,;37.34,-31.27,;36.01,-30.49,;34.67,-31.26,;34.66,-32.81,;36.01,-28.96,;37.35,-28.19,;34.68,-28.18,;38.66,-35.11,;39.99,-35.87,)| | PDB MMDB
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| n/a | n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system by kinomescan method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553815
(CHEMBL4794701)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12 |r,wU:19.23,wD:16.16,(44.83,-29.2,;43.32,-29.53,;42.86,-31,;43.9,-32.14,;43.43,-33.6,;41.92,-33.92,;40.89,-32.8,;41.35,-31.33,;41.46,-35.39,;42.37,-36.63,;41.47,-37.88,;40,-37.41,;38.66,-38.19,;37.33,-37.42,;37.33,-35.88,;36,-35.11,;36,-33.57,;37.33,-32.8,;37.34,-31.27,;36.01,-30.49,;34.67,-31.26,;34.66,-32.81,;36.01,-28.96,;37.35,-28.19,;34.68,-28.18,;38.66,-35.11,;39.99,-35.87,)| | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Sf21 insect cells by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50332294
(CHEMBL1287853 | N-tert-butyl-3-(5-methyl-2-(4-(2-(...)Show SMILES Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553815
(CHEMBL4794701)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12 |r,wU:19.23,wD:16.16,(44.83,-29.2,;43.32,-29.53,;42.86,-31,;43.9,-32.14,;43.43,-33.6,;41.92,-33.92,;40.89,-32.8,;41.35,-31.33,;41.46,-35.39,;42.37,-36.63,;41.47,-37.88,;40,-37.41,;38.66,-38.19,;37.33,-37.42,;37.33,-35.88,;36,-35.11,;36,-33.57,;37.33,-32.8,;37.34,-31.27,;36.01,-30.49,;34.67,-31.26,;34.66,-32.81,;36.01,-28.96,;37.35,-28.19,;34.68,-28.18,;38.66,-35.11,;39.99,-35.87,)| | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553818
(CHEMBL4793593)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](N)C3)nc12 |r| | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system by kinomescan method |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM21
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)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) | PDB MMDB
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Similars
| Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM21
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)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) | PDB MMDB
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Similars
| Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM21
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)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) | PDB MMDB
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| PCBioAssay
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/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/Q23R0R7C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553816
(CHEMBL4784697)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](CN)CC3)nc12 |r,wU:19.20,wD:16.16,(33.12,-45.27,;31.61,-45.6,;31.15,-47.06,;32.19,-48.2,;31.72,-49.67,;30.21,-49.99,;29.18,-48.86,;29.64,-47.4,;29.75,-51.45,;30.66,-52.7,;29.76,-53.95,;28.29,-53.48,;26.95,-54.26,;25.62,-53.49,;25.62,-51.95,;24.29,-51.18,;24.29,-49.64,;25.62,-48.87,;25.63,-47.34,;24.3,-46.56,;24.3,-45.02,;25.64,-44.26,;22.96,-47.33,;22.95,-48.87,;26.95,-51.18,;28.28,-51.94,)| | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553815
(CHEMBL4794701)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12 |r,wU:19.23,wD:16.16,(44.83,-29.2,;43.32,-29.53,;42.86,-31,;43.9,-32.14,;43.43,-33.6,;41.92,-33.92,;40.89,-32.8,;41.35,-31.33,;41.46,-35.39,;42.37,-36.63,;41.47,-37.88,;40,-37.41,;38.66,-38.19,;37.33,-37.42,;37.33,-35.88,;36,-35.11,;36,-33.57,;37.33,-32.8,;37.34,-31.27,;36.01,-30.49,;34.67,-31.26,;34.66,-32.81,;36.01,-28.96,;37.35,-28.19,;34.68,-28.18,;38.66,-35.11,;39.99,-35.87,)| | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to LPP-dephosphorylated recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
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| PCBioAssay
| n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/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/Q23R0R7C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
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Patents
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| Article PubMed
| n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
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| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/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/Q23R0R7C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553816
(CHEMBL4784697)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](CN)CC3)nc12 |r,wU:19.20,wD:16.16,(33.12,-45.27,;31.61,-45.6,;31.15,-47.06,;32.19,-48.2,;31.72,-49.67,;30.21,-49.99,;29.18,-48.86,;29.64,-47.4,;29.75,-51.45,;30.66,-52.7,;29.76,-53.95,;28.29,-53.48,;26.95,-54.26,;25.62,-53.49,;25.62,-51.95,;24.29,-51.18,;24.29,-49.64,;25.62,-48.87,;25.63,-47.34,;24.3,-46.56,;24.3,-45.02,;25.64,-44.26,;22.96,-47.33,;22.95,-48.87,;26.95,-51.18,;28.28,-51.94,)| | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Sf21 insect cells by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
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Similars
| Article PubMed
| n/a | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50306682
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM25919
(BMS-345541 | BMS345541 | CHEMBL471496 | N-(2-amino...)Show InChI InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50519158
(CHEMBL4445812)Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28) | PDB MMDB
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.32E+3 | n/a | n/a | n/a | n/a | n/a |
Chengdu University
Curated by ChEMBL
| Assay Description Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system measured after 1 hr by kinomes... |
J Med Chem 62: 7697-7707 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00353 BindingDB Entry DOI: 10.7270/Q2X06BF7 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50355496
(CHEMBL1908397)Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ | PDB MMDB
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| n/a | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553823
(CHEMBL4764076)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](CO)CC3)nc12 |r,wU:19.20,wD:16.16,(62.74,-29.24,;61.24,-29.57,;60.77,-31.04,;61.81,-32.18,;61.34,-33.65,;59.83,-33.96,;58.8,-32.84,;59.26,-31.38,;59.37,-35.43,;60.28,-36.67,;59.38,-37.93,;57.91,-37.46,;56.57,-38.24,;55.24,-37.47,;55.24,-35.92,;53.91,-35.15,;53.91,-33.61,;55.24,-32.85,;55.25,-31.32,;53.92,-30.54,;53.92,-29,;52.59,-28.23,;52.58,-31.31,;52.58,-32.85,;56.57,-35.15,;57.9,-35.92,)| | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Sf21 insect cells by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50553823
(CHEMBL4764076)Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](CO)CC3)nc12 |r,wU:19.20,wD:16.16,(62.74,-29.24,;61.24,-29.57,;60.77,-31.04,;61.81,-32.18,;61.34,-33.65,;59.83,-33.96,;58.8,-32.84,;59.26,-31.38,;59.37,-35.43,;60.28,-36.67,;59.38,-37.93,;57.91,-37.46,;56.57,-38.24,;55.24,-37.47,;55.24,-35.92,;53.91,-35.15,;53.91,-33.61,;55.24,-32.85,;55.25,-31.32,;53.92,-30.54,;53.92,-29,;52.59,-28.23,;52.58,-31.31,;52.58,-32.85,;56.57,-35.15,;57.9,-35.92,)| | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale thermophoresis assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding affinity to ERK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB MMDB
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding affinity to ERK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50026612
(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- | PDB MMDB
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 6
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB MMDB
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CHEMBL MCE PC cid PC sid PDB UniChem
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERK3 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |