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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 = 'BDBM50115398'   
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


(Homo sapiens (Human))
BDBM50115398
PNG
(CHEMBL3608586)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2Nc1nccc(n1)-c1cc2C(=O)N(CCCn2c1)[C@H](CO)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c26-17-4-1-3-15(9-17)22(12-32)31-8-2-7-30-11-16(10-21(30)24(31)33)20-5-6-27-25(28-20)29-23-18-13-34-14-19(18)23/h1,3-6,9-11,18-19,22-23,32H,2,7-8,12-14H2,(H,27,28,29)/t18-,19+,22-,23+/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 0.0260n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3788-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.091
BindingDB Entry DOI: 10.7270/Q2G44S3Q
More data for this
Ligand-Target Pair