BDBM142744 US8937095, 6
SMILES: CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1
InChI Key: InChIKey=FLBNLJLONKAPLR-DQSJHHFOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human)) | BDBM142744![]() (US8937095, 6) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 25 | n/a | n/a | n/a | n/a | 7.6 | n/a |
Boehringer Ingelheim International GmbH US Patent | Assay Description The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was ... | US Patent US8937095 (2015) BindingDB Entry DOI: 10.7270/Q2416VS4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Aurora kinase B (Xenopus laevis (African clawed frog)) | BDBM142744![]() (US8937095, 6) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.6 | n/a |
Boehringer Ingelheim International GmbH US Patent | Assay Description The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was ... | US Patent US8937095 (2015) BindingDB Entry DOI: 10.7270/Q2416VS4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |