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BDBM1717 US8470837, 21

InChI string: InChI=1S/C18H15F2N5O4/c1-24-16-13(17(28)25(8-22-16)6-10(27)7-26)15(14(20)18(24)29)23-12-3-2-9(5-21)4-11(12)19/h2-4,8,10,23,26-27H,6-7H2,1H3/t10-/m0/s1

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

InChI Key: InChIKey=SIQPPFUZXXNPJR-JTQLQIEISA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1717   
Target
(Institution)
LigandTarget
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))
BDBM1717
PNG
(US8470837, 21)
Show SMILES Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(cc2F)C#N)c(F)c1=O
Show InChI InChI=1S/C18H15F2N5O4/c1-24-16-13(17(28)25(8-22-16)6-10(27)7-26)15(14(20)18(24)29)23-12-3-2-9(5-21)4-11(12)19/h2-4,8,10,23,26-27H,6-7H2,1H3/t10-/m0/s1
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 10n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair