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BDBM1719 US8470837, 23

SMILES: Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(NCS(C)(=O)=O)cc2F)c(F)c1=O

InChI Key: InChIKey=BYCARCPDPRTESX-LLVKDONJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1719   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1719
PNG
(US8470837, 23)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(NCS(C)(=O)=O)cc2F)c(F)c1=O
Show InChI InChI=1S/C19H21F2N5O6S/c1-25-17-14(18(29)26(8-22-17)6-11(28)7-27)16(15(21)19(25)30)24-13-4-3-10(5-12(13)20)23-9-33(2,31)32/h3-5,8,11,23-24,27-28H,6-7,9H2,1-2H3/t11-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

n/an/a>16n/an/an/an/a7.325



Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair