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BDBM204480 US9242996, 190

SMILES: Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@@H]1CC[C@@H](O)[C@H](F)C1

InChI Key: InChIKey=MMARQVICMTUUKU-YHLCSLGKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 204480   
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
MAP kinase ERK2


(Homo sapiens (human))
BDBM204480
PNG
(US9242996, 190)
Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@@H]1CC[C@@H](O)[C@H](F)C1
Show InChI InChI=1S/C25H24F3IN4O3/c26-15-5-14(6-16(29)9-15)21(11-34)33-25(36)17-3-1-13(8-18(17)27)23-24(30)31-10-20(32-23)12-2-4-22(35)19(28)7-12/h1,3,5-6,8-10,12,19,21-22,34-35H,2,4,7,11H2,(H2,30,31)(H,33,36)/t12-,19-,21-,22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0176n/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