BDBM275295 1-[(3R,4S)-1-methyl-4-(5- methylthiophen-2-yl)pyrrolidin-3- yl]-3-[1-(2-methylpyridin-4-yl)- 1H-pyrazolo[3,4-c]pyridin-5- yl]urea::US9884048, Example 189
SMILES: CN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](C1)c1ccc(C)s1
InChI Key: InChIKey=APQXGNCZLGMYPP-OALUTQOASA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitogen-activated protein kinase 1 (Homo sapiens (Human)) | BDBM275295 (1-[(3R,4S)-1-methyl-4-(5- methylthiophen-2-yl)pyrr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
MERCK SHARP & DOHME CORP. US Patent | Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete... | US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5 | |||||||||||
More data for this Ligand-Target Pair |