BDBM50433643 CHEMBL2380839
SMILES: COc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
InChI Key: InChIKey=QZEWXOZPGITETL-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50433643 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)) | BDBM50433643
(CHEMBL2380839)Show SMILES COc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H20N4O3/c1-33-22-9-5-4-8-20(22)26(32)29-17-12-10-16(11-13-17)28-21-14-15-27-24-23(21)18-6-2-3-7-19(18)25(31)30-24/h2-15H,1H3,(H,29,32)(H2,27,28,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433643
(CHEMBL2380839)Show SMILES COc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H20N4O3/c1-33-22-9-5-4-8-20(22)26(32)29-17-12-10-16(11-13-17)28-21-14-15-27-24-23(21)18-6-2-3-7-19(18)25(31)30-24/h2-15H,1H3,(H,29,32)(H2,27,28,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |