BDBM379041 (2S)-3-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]- 4-(pyridin-4- ylamino) pyrimidin- 5- yl}oxy)propane- 1,2-diol::US10266548, Example 12-3::US10266548, Example 15-2
SMILES: OC[C@H](O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
InChI Key: InChIKey=CEZYPMPGLWJWNA-IBGZPJMESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human)) | BDBM379041 ((2S)-3-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE... | J Med Chem 51: 4150-69 (2008) BindingDB Entry DOI: 10.7270/Q2RV0R1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human)) | BDBM379041 ((2S)-3-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE... | J Med Chem 51: 4150-69 (2008) BindingDB Entry DOI: 10.7270/Q2RV0R1M | |||||||||||
More data for this Ligand-Target Pair |