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BDBM243223 US9546173, cmpd 20::n-(3-fluorobenzyl)-5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxamide

SMILES: CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccc(F)c1

InChI Key: InChIKey=QNMRTRAQYPKNQO-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 243223   
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))
BDBM243223
PNG
(US9546173, cmpd 20 | n-(3-fluorobenzyl)-5,5-dimeth...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C21H26FN5O2/c1-21(2)17-12-23-19(25-16-6-8-29-9-7-16)26-18(17)13-27(21)20(28)24-11-14-4-3-5-15(22)10-14/h3-5,10,12,16H,6-9,11,13H2,1-2H3,(H,24,28)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 16n/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