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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 = 'BDBM243991'   
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))
BDBM243991
PNG
(US9546173, cmpd 67 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C24H33N5O3/c1-24(2)19-13-25-22(26-17-9-11-18(32-3)12-10-17)27-20(19)14-29(24)23(31)28-21(15-30)16-7-5-4-6-8-16/h4-8,13,17-18,21,30H,9-12,14-15H2,1-3H3,(H,28,31)(H,25,26,27)/t17-,18-,21-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 68n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair