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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 = 'BDBM204470'   
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))
BDBM204470
PNG
(US9242996, 180)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Br)c1
Show InChI InChI=1S/C24H24BrF2N5O2/c25-16-7-15(8-17(26)10-16)20(11-28)32-24(33)18-2-1-14(9-19(18)27)22-23(29)30-12-21(31-22)13-3-5-34-6-4-13/h1-2,7-10,12-13,20H,3-6,11,28H2,(H2,29,30)(H,32,33)/t20-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.00671n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair