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BDBM204398 US9242996, 477

SMILES: Nc1ncc(cc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1)C(=O)N1CCC(O)CC1

InChI Key: InChIKey=SYEUXSVKSPMGIY-QWVACARCNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 204398   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM204398
PNG
(US9242996, 477)
Show SMILES Nc1ncc(cc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1)C(=O)N1CCC(O)CC1
Show InChI InChI=1/C26H25BrF2N4O4/c27-17-7-15(8-18(28)11-17)23(13-34)32-25(36)20-2-1-14(10-22(20)29)21-9-16(12-31-24(21)30)26(37)33-5-3-19(35)4-6-33/h1-2,7-12,19,23,34-35H,3-6,13H2,(H2,30,31)(H,32,36)/t23-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.59n/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