Found 301 hits of kd data for polymerid = 2239,50000082,5639,943 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 1
(Mus musculus (Mouse)) | BDBM203368
(US9242981, 113)Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccc2nccn2c1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203365
(US9242981, 110)Show SMILES Cc1cccc(C)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccc2nccn2c1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.0501 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50505988
(CHEMBL4482864)Show SMILES COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 0.0501 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203378
(US9242981, 123)Show SMILES COc1cccc(F)c1CN1CC(CC(C1)C(F)(F)F)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccnc(C)c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50505988
(CHEMBL4482864)Show SMILES COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203367
(US9242981, 112)Show SMILES O=C(N[C@@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCc2[nH]nc(c2C1)-c1ccc2nccn2c1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203349
(US9242981, 84)Show SMILES Cc1cc(ccn1)-c1n[nH]c2CCN(Cc12)C(=O)NC1CCCN(Cc2c(C)cccc2C)C1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203364
(US9242981, 109)Show SMILES O=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(c2C1)-c1ccc2nccn2c1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203321
(US9242981, 53)Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203339
(US9242981, 71)Show SMILES Cc1cccc(C)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265959
(CHEMBL4071576)Show SMILES C[C@@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203326
(US9242981, 58)Show SMILES Cc1ccsc1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203325
(US9242981, 57)Show SMILES O=C(N[C@@H]1CCCN(Cc2csc3ccccc23)C1)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203337
(US9242981, 69)Show SMILES Clc1ccccc1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50094465
(CHEMBL3590106 | US10525036, Example BVD-523 | US10...)Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r| Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203319
(US9242981, 48)Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203355
(US9242981, 100)Show SMILES Cc1cc(ccn1)-c1n[nH]c2CCN(Cc12)C(=O)N[C@@H]1CCCN(Cc2cccc3ccccc23)C1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203329
(US9242981, 61)Show SMILES Cn1c(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)cc2ccccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203322
(US9242981, 54)Show SMILES Fc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203317
(US9242981, 46)Show SMILES CN1C[C@@H](NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)[C@@H](C1)c1ccccc1C |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265959
(CHEMBL4071576)Show SMILES C[C@@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203328
(US9242981, 60)Show SMILES Cn1cc(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c2ccccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 1.12 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203343
(US9242981, 75)Show SMILES Cc1noc(c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1)-c1ccccc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 1.36 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203327
(US9242981, 59)Show SMILES Cc1ccc(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)s1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 1.51 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203344
(US9242981, 76)Show SMILES Cc1onc(c1CN1CCC[C@H](C1)NC(=O)N1CCc2[nH]nc(c2C1)-c1ccncc1)-c1ccccc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 1.55 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120095
(US10525036, Example GDC-0994 | US10934304, Example...)Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120095
(US10525036, Example GDC-0994 | US10934304, Example...)Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM203330
(US9242981, 62)Show SMILES CC(=O)n1cc(CN2CCC[C@H](C2)NC(=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c2ccccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MAP4K2 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 kinase kinase kinase 2
(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 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding affinity to MAP4K2 |
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 kinase kinase kinase 2
(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 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MAP4K2 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 1
(Mus musculus (Mouse)) | BDBM203308
(US9242981, 37)Show SMILES O=C(N[C@H]1CNC[C@@H]1c1ccccc1)N1CCc2[nH]nc(c2C1)-c1ccncc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description The SAR (Structure Activity Relationship) for ERK ligands covered by
this invention was interrogated using the TdF (Temperature Dependence
Fluoresc... |
US Patent US9242981 (2016)
BindingDB Entry DOI: 10.7270/Q2GM864G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50505541
(CHEMBL4465866)Show SMILES [H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21| Show InChI InChI=1S/C49H54BF2N7O7/c1-29-25-30(2)58-39(29)26-32-14-13-31(59(32)50(58,51)52)15-16-40(60)54-18-20-64-22-24-65-23-21-63-19-17-53-36-27-41-56-37-11-7-5-9-33(37)43-44-35(28-55-48(44)61)42-34-10-6-8-12-38(34)57(46(42)45(43)56)49(3,66-41)47(36)62-4/h5-14,25-26,36,41,47,53H,15-24,27-28H2,1-4H3,(H,54,60)(H,55,61)/t36-,41-,47-,49+/m1/s1 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MAP4K2 (unknown origin) expressed in baculovirus infected Sf9 insect cells... |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126641 BindingDB Entry DOI: 10.7270/Q2RV0S0K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50505542
(CHEMBL4576489)Show SMILES [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60| Show InChI InChI=1S/C50H56BF2N7O7/c1-30-26-31(2)59-39(30)27-33-15-14-32(60(33)51(59,52)53)16-17-41(61)54-18-20-64-22-24-66-25-23-65-21-19-56(4)40-28-42-57-37-12-8-6-10-34(37)44-45-36(29-55-49(45)62)43-35-11-7-9-13-38(35)58(47(43)46(44)57)50(3,67-42)48(40)63-5/h6-15,26-27,40,42,48H,16-25,28-29H2,1-5H3,(H,54,61)(H,55,62)/t40-,42-,48-,50+/m1/s1 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MAP4K2 (unknown origin) expressed in baculovirus infected Sf9 insect cells... |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126641 BindingDB Entry DOI: 10.7270/Q2RV0S0K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(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 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MAP4K2 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 1
(Homo sapiens (Human)) | BDBM50094465
(CHEMBL3590106 | US10525036, Example BVD-523 | US10...)Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r| Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase kinase 2
(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+ | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MAP4K2 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 kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50396243
(CHEMBL2172308 | US10370379, Compound TSR-011)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)| Show InChI InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)/t24-,27+ | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human MAP4K2 by Ambit titration assay |
J Med Chem 55: 6523-40 (2012)
Article DOI: 10.1021/jm3005866 BindingDB Entry DOI: 10.7270/Q2M046KT |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50254739
(CHEMBL4079223)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)C(N)CCCCn1cc(CCCCNC(=O)CCCCCn2nc(N)c3cc(nnc23)-c2c(nn3ccccc23)-c2ccccc2)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C133H217N45O30/c1-14-74(9)105(127(204)162-92(64-71(3)4)120(197)151-76(11)111(188)153-86(48-51-98(137)182)116(193)155-83(42-32-57-147-131(140)141)114(191)156-85(44-34-59-149-133(144)145)119(196)166-104(73(7)8)125(202)157-84(43-33-58-148-132(142)143)115(192)160-90(130(207)208)41-22-27-55-135)167-123(200)95(70-180)164-122(199)94(69-179)163-118(195)88(50-53-102(186)187)158-126(203)106(75(10)15-2)168-124(201)97-46-35-61-176(97)129(206)89(40-21-26-54-134)159-121(198)93(65-72(5)6)161-117(194)87(49-52-99(138)183)154-112(189)77(12)152-128(205)107(78(13)181)165-101(185)67-150-113(190)82(136)39-24-30-60-175-68-80(169-174-175)38-23-28-56-146-100(184)47-20-17-29-63-178-110-81(109(139)173-178)66-91(170-171-110)103-96-45-25-31-62-177(96)172-108(103)79-36-18-16-19-37-79/h16,18-19,25,31,36-37,45,62,66,68,71-78,82-90,92-95,97,104-107,179-181H,14-15,17,20-24,26-30,32-35,38-44,46-61,63-65,67,69-70,134-136H2,1-13H3,(H2,137,182)(H2,138,183)(H2,139,173)(H,146,184)(H,150,190)(H,151,197)(H,152,205)(H,153,188)(H,154,189)(H,155,193)(H,156,191)(H,157,202)(H,158,203)(H,159,198)(H,160,192)(H,161,194)(H,162,204)(H,163,195)(H,164,199)(H,165,185)(H,166,196)(H,167,200)(H,168,201)(H,186,187)(H,207,208)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t74-,75-,76-,77-,78+,82?,83-,84-,85-,86-,87-,88-,89-,90-,92-,93-,94-,95-,97-,104-,105-,106-,107-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
Cancer Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, California 92037, United States.
Curated by ChEMBL
| Assay Description Binding affinity to full length wild type human ERK2 (M1 to P379 residues) expressed in bacterial expression system by KINOMEscan assay |
ACS Med Chem Lett 8: 726-731 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00127 BindingDB Entry DOI: 10.7270/Q2ZW1PCV |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50396263
(CHEMBL2172315)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(45.25,-13.26,;43.74,-12.95,;43.27,-11.48,;42.72,-14.09,;41.21,-13.77,;40.18,-14.92,;40.73,-12.31,;39.23,-11.99,;38.75,-10.54,;39.78,-9.39,;41.28,-9.69,;41.76,-11.16,;39.29,-7.93,;40.2,-6.67,;41.74,-6.66,;42.5,-5.32,;41.72,-4,;44.04,-5.31,;44.81,-6.64,;46.35,-6.63,;47.13,-7.96,;47.11,-5.3,;46.33,-3.96,;47.08,-2.62,;44.79,-3.98,;39.28,-5.42,;37.81,-5.91,;36.47,-5.15,;35.14,-5.92,;35.14,-7.46,;33.81,-8.23,;32.48,-7.46,;32.49,-5.92,;31.16,-5.15,;29.82,-5.91,;29.82,-7.45,;31.15,-8.23,;28.48,-5.13,;27.71,-3.79,;29.25,-3.79,;27.16,-5.9,;36.48,-8.23,;37.82,-7.46,)| Show InChI InChI=1S/C33H43F2N5O3/c1-20(2)36-30(41)22-6-8-27(9-7-22)40-29-15-21(19-39-13-11-24(12-14-39)33(3,4)43)5-10-28(29)37-32(40)38-31(42)23-16-25(34)18-26(35)17-23/h5,10,15-18,20,22,24,27,43H,6-9,11-14,19H2,1-4H3,(H,36,41)(H,37,38,42)/t22-,27+ | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human MAP4K2 by Ambit titration assay |
J Med Chem 55: 6523-40 (2012)
Article DOI: 10.1021/jm3005866 BindingDB Entry DOI: 10.7270/Q2M046KT |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MAP4K2 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 kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50256930
(CHEMBL4097172)Show SMILES NC(=O)c1cccnc1Nc1nc(cc2nccn12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C19H14N6O3/c20-17(26)12-2-1-5-22-18(12)24-19-23-13(9-16-21-6-7-25(16)19)11-3-4-14-15(8-11)28-10-27-14/h1-9H,10H2,(H2,20,26)(H,22,23,24) | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a |
Faculty of Pharmaceutical Sciences, Hokkaido University, Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.
Curated by ChEMBL
| Assay Description Binding affinity to human wild type GCK (M1 to G318 residues) expressed in mammalian expression system by KINOMEScan assay |
Bioorg Med Chem Lett 27: 2144-2147 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.055 BindingDB Entry DOI: 10.7270/Q22F7QWQ |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50256917
(CHEMBL4084376)Show SMILES COc1cccc(c1)-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1 Show InChI InChI=1S/C19H16N6O2/c1-27-13-5-2-4-12(10-13)15-11-16-21-8-9-25(16)19(23-15)24-18-14(17(20)26)6-3-7-22-18/h2-11H,1H3,(H2,20,26)(H,22,23,24) | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a |
Faculty of Pharmaceutical Sciences, Hokkaido University, Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.
Curated by ChEMBL
| Assay Description Binding affinity to human wild type GCK (M1 to G318 residues) expressed in mammalian expression system by KINOMEScan assay |
Bioorg Med Chem Lett 27: 2144-2147 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.055 BindingDB Entry DOI: 10.7270/Q22F7QWQ |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50355499
(CHEMBL1908395 | CHEMBL1908842)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31| Show InChI InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34) | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MAP4K2 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 kinase kinase kinase 2
(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 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MAP4K2 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 kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| 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+/m0/s1 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MAP4K2 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 kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM31085
(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) | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for MAP4K2 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 kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50256918
(CHEMBL4088519)Show InChI InChI=1S/C19H16N6O/c1-12-5-2-3-6-13(12)15-11-16-21-9-10-25(16)19(23-15)24-18-14(17(20)26)7-4-8-22-18/h2-11H,1H3,(H2,20,26)(H,22,23,24) | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Faculty of Pharmaceutical Sciences, Hokkaido University, Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.
Curated by ChEMBL
| Assay Description Binding affinity to human wild type GCK (M1 to G318 residues) expressed in mammalian expression system by KINOMEScan assay |
Bioorg Med Chem Lett 27: 2144-2147 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.055 BindingDB Entry DOI: 10.7270/Q22F7QWQ |
More data for this Ligand-Target Pair | |