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BDBM341152 US9765058, Example 2-1-2

SMILES: CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(N)=O)n2)c(F)c1

InChI Key: InChIKey=IHHMKXJRBNSAFG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341152   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM341152
PNG
(US9765058, Example 2-1-2)
Show SMILES CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(N)=O)n2)c(F)c1
Show InChI InChI=1S/C25H22ClF2N7O2/c1-2-37-14-9-17(27)16(18(28)10-14)12-35-23(13-3-4-13)21(26)22(34-35)25-31-8-6-20(33-25)32-19-5-7-30-11-15(19)24(29)36/h5-11,13H,2-4,12H2,1H3,(H2,29,36)(H,30,31,32,33)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.10n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US9765058 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ1347
More data for this
Ligand-Target Pair