BDBM50329196 3-(1-((2S,6R)-2,6-dimethylmorpholino)cyclopropyl)-N-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)isothiazol-5-amine::CHEMBL1270398
SMILES: C[C@H]1CN(C[C@@H](C)O1)C1(CC1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
InChI Key: InChIKey=HNGRKZKIRRQEDF-GASCZTMLSA-N
Data: 2 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 A (Homo sapiens (Human)) | BDBM50329196 (3-(1-((2S,6R)-2,6-dimethylmorpholino)cyclopropyl)-...) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of Aurora A | Bioorg Med Chem Lett 20: 6739-43 (2010) Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM50329196 (3-(1-((2S,6R)-2,6-dimethylmorpholino)cyclopropyl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of Aurora B | Bioorg Med Chem Lett 20: 6739-43 (2010) Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX | |||||||||||
More data for this Ligand-Target Pair |