BDBM50456352 CHEMBL4213926
SMILES: Clc1cnc(NC2CCOCC2)nc1-c1ccc2CN(CCN3CCOCC3)C(=O)c2c1
InChI Key: InChIKey=GWFKQIHFNOHJAK-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Mitogen-activated protein kinase 1 (Homo sapiens (Human)) | BDBM50456352![]() (CHEMBL4213926 | US11001575, Example 104) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of full length human N-terminal MAHHHHHH-tagged ERK2 expressed in Escherichia coli BL21 (DE3) using ATF2-GFP as substrate after 30 mins by... | J Med Chem 61: 4978-4992 (2018) Article DOI: 10.1021/acs.jmedchem.8b00421 BindingDB Entry DOI: 10.7270/Q2HT2RZZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Mitogen-activated protein kinase 1 (Homo sapiens (Human)) | BDBM50456352![]() (CHEMBL4213926 | US11001575, Example 104) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
OTSUKA PHARMACEUTICAL CO., LTD. US Patent | Assay Description Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver... | US Patent US11001575 (2021) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Mitogen-activated protein kinase 1 (Homo sapiens (Human)) | BDBM50456352![]() (CHEMBL4213926 | US11001575, Example 104) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
OTSUKA PHARMACEUTICAL CO., LTD. US Patent | Assay Description Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver... | US Patent US10457669 (2019) BindingDB Entry DOI: 10.7270/Q2B27XNR | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |