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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM103300'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM103300
PNG
(US8546404, 571)
Show SMILES C[C@@H]1CN(CCN1C(=O)CN1CCC(C1)(C#C)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccc(cn1)-c1ncccn1 |r|
Show InChI InChI=1S/C36H34FN9O2/c1-3-36(35(48)41-28-10-11-30-29(19-28)33(43-42-30)25-5-8-27(37)9-6-25)13-16-44(23-36)22-32(47)46-18-17-45(21-24(46)2)31-12-7-26(20-40-31)34-38-14-4-15-39-34/h1,4-12,14-15,19-20,24H,13,16-18,21-23H2,2H3,(H,41,48)(H,42,43)/t24-,36?/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 19.5n/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