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BDBM154819 US8999957, Table 3, Compound 91

SMILES: COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)N(C)C)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1

InChI Key: InChIKey=WTNZAAZMMYXXDC-QTZDTBTRNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 154819   
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))
BDBM154819
PNG
(US8999957, Table 3, Compound 91)
Show SMILES COc1cccc(F)c1CN1C[C@@H](CC[C@H]1C(=O)N(C)C)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1/C29H31FN6O3/c1-35(2)29(38)25-10-8-20(16-36(25)17-22-23(30)5-4-6-26(22)39-3)32-28(37)19-7-9-24-21(15-19)27(34-33-24)18-11-13-31-14-12-18/h4-7,9,11-15,20,25H,8,10,16-17H2,1-3H3,(H,32,37)(H,33,34)/t20-,25+/s2
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Similars

US Patent
n/an/a 18.2n/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