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BDBM243998 US9546173, cmpd 72::n-((s)-2-hydroxy-1-phenylethyl)-5,5-dimethyl-2-(((tetrahydro-2h-pyran-2-yl)methyl)amino)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxamide

SMILES: CC1(C)N(Cc2nc(NCC3CCCCO3)ncc12)C(=O)N[C@H](CO)c1ccccc1

InChI Key: InChIKey=XOGHURVKBRCKLR-UUSAFJCLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 243998   
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))
BDBM243998
PNG
(US9546173, cmpd 72 | n-((s)-2-hydroxy-1-phenylethy...)
Show SMILES CC1(C)N(Cc2nc(NCC3CCCCO3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H31N5O3/c1-23(2)18-13-25-21(24-12-17-10-6-7-11-31-17)26-19(18)14-28(23)22(30)27-20(15-29)16-8-4-3-5-9-16/h3-5,8-9,13,17,20,29H,6-7,10-12,14-15H2,1-2H3,(H,27,30)(H,24,25,26)/t17?,20-/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 5.31E+3n/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