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BDBM337297 US9745307, Example 34

SMILES: C[C@@H](N1Cc2cc(C(=N)NC(C)=O)c(N)cc2NC1=O)c1ccccc1

InChI Key: InChIKey=WSCFOKGEQKNSJA-LLVKDONJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 337297   
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


(Homo sapiens (Human))
BDBM337297
PNG
(US9745307, Example 34)
Show SMILES C[C@@H](N1Cc2cc(C(=N)NC(C)=O)c(N)cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-11(13-6-4-3-5-7-13)24-10-14-8-15(18(21)22-12(2)25)16(20)9-17(14)23-19(24)26/h3-9,11H,10,20H2,1-2H3,(H,23,26)(H2,21,22,25)/t11-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9745307 (2017)


Article DOI: 10.1016/j.bmc.2006.03.042
More data for this
Ligand-Target Pair