Found 4 hits of Enzyme Inhibition Constant Data 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
(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
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MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4047-56 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.093 BindingDB Entry DOI: 10.7270/Q2VX0JBS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) after 45 mins by IMAP assay |
Bioorg Med Chem Lett 25: 4047-56 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.093 BindingDB Entry DOI: 10.7270/Q2VX0JBS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 3
(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
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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of ERK1 (unknown origin) |
Bioorg Med Chem Lett 25: 4047-56 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.093 BindingDB Entry DOI: 10.7270/Q2VX0JBS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 3
(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
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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of ERK1 (unknown origin) after 45 mins by IMAP assay |
Bioorg Med Chem Lett 25: 4047-56 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.093 BindingDB Entry DOI: 10.7270/Q2VX0JBS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |