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SMILES: CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2F)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1

InChI Key: InChIKey=AJLWDJDWMFJLHM-BHVANESWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 103298   
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))		BDBM103298
PNG
(US8546404, 825)
Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2F)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12|
Show InChI InChI=1S/C36H33F2N7O3/c1-48-36(35(47)41-27-8-10-31-29(20-27)33(43-42-31)24-3-6-26(37)7-4-24)13-18-44(22-36)21-32(46)45-16-11-23(12-17-45)28-9-5-25(19-30(28)38)34-39-14-2-15-40-34/h2-11,14-15,19-20H,12-13,16-18,21-22H2,1H3,(H,41,47)(H,42,43)/t36-/m0/s1
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MMDB

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Similars
US Patent
n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.

US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair