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BDBM379049 Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-1H-indazol-3-yl]-5-methoxy-N-(pyridin-4-yl)pyrimidin-4-amine hydrochloride (1:1)::US10266548, Example 15-1

SMILES: CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1

InChI Key: InChIKey=XLJLAZDKCHDNJX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 379049   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379049
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C26H22F2N6O2/c1-3-36-17-12-20(27)19(21(28)13-17)15-34-22-7-5-4-6-18(22)24(33-34)26-30-14-23(35-2)25(32-26)31-16-8-10-29-11-9-16/h4-14H,3,15H2,1-2H3,(H,29,30,31,32)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)


BindingDB Entry DOI: 10.7270/Q2RV0R1M
More data for this
Ligand-Target Pair