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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MAP kinase ERK2' and Ligand = 'BDBM204274'   
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
MAP kinase ERK2


(Homo sapiens (human))
BDBM204274
PNG
(US9242996, 353)
Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@@H]1CC[C@@H](O)[C@@H](F)C1)c1cc(F)cc(Br)c1
Show InChI InChI=1/C25H25BrF3N5O2/c26-15-5-14(6-16(27)9-15)20(10-30)34-25(36)17-3-1-13(8-18(17)28)23-24(31)32-11-21(33-23)12-2-4-22(35)19(29)7-12/h1,3,5-6,8-9,11-12,19-20,22,35H,2,4,7,10,30H2,(H2,31,32)(H,34,36)/t12-,19+,20-,22-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0103n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair