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BDBM154887 US8999957, Table 3, Compound 163

SMILES: COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)NCCCNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1

InChI Key: InChIKey=QBOSVTBVIPFGJZ-UTVZSQEXNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 154887   
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
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154887
PNG
(US8999957, Table 3, Compound 163)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)NCCCNC(=O)OC(C)(C)C)NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1
Show InChI InChI=1/C36H44FN7O5/c1-22-18-23(14-17-38-22)32-26-19-24(10-12-29(26)42-43-32)33(45)41-25-11-13-30(34(46)39-15-7-16-40-35(47)49-36(2,3)4)44(20-25)21-27-28(37)8-6-9-31(27)48-5/h6,8-10,12,14,17-19,25,30H,7,11,13,15-16,20-21H2,1-5H3,(H,39,46)(H,40,47)(H,41,45)(H,42,43)/t25-,30+/s2
PDB
MMDB

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Similars

US Patent
n/an/a 16.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 μl of 25 compound was a...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair