BDBM50059446 CHEMBL3393475
SMILES: CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cc(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12
InChI Key:
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aurora kinase B (Homo sapiens (Human)) | BDBM50059446 (CHEMBL3393475) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Curated by ChEMBL | Assay Description Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin... | J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50059446 (CHEMBL3393475) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate | J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50059446 (CHEMBL3393475) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Curated by ChEMBL | Assay Description Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin... | J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D | |||||||||||
More data for this Ligand-Target Pair |