BDBM50381714 CHEMBL2022854
SMILES: Nc1ncc(-c2cnn(CCN3CCCCC3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChI Key: InChIKey=RQYYSAWYJHRJJK-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50381714 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 |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50381714
(CHEMBL2022854)Show SMILES Nc1ncc(-c2cnn(CCN3CCCCC3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C30H30FN7OS/c31-22-5-4-6-24(15-22)36-30(39)35-23-9-7-20(8-10-23)26-19-40-28-25(17-33-29(32)27(26)28)21-16-34-38(18-21)14-13-37-11-2-1-3-12-37/h4-10,15-19H,1-3,11-14H2,(H2,32,33)(H2,35,36,39) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells |
Bioorg Med Chem Lett 22: 3208-12 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.035 BindingDB Entry DOI: 10.7270/Q2000336 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50381714
(CHEMBL2022854)Show SMILES Nc1ncc(-c2cnn(CCN3CCCCC3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C30H30FN7OS/c31-22-5-4-6-24(15-22)36-30(39)35-23-9-7-20(8-10-23)26-19-40-28-25(17-33-29(32)27(26)28)21-16-34-38(18-21)14-13-37-11-2-1-3-12-37/h4-10,15-19H,1-3,11-14H2,(H2,32,33)(H2,35,36,39) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Aurora B using 1 mM ATP by HTRF assay |
Bioorg Med Chem Lett 22: 3208-12 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.035 BindingDB Entry DOI: 10.7270/Q2000336 |
More data for this Ligand-Target Pair | |