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BDBM244170 US9546173, cmpd 102::n-(1-(2-fluorobenzyl)-5-(methylcarbamoyl)piperidin-3-yl)-5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxamide

SMILES: CNC(=O)C1CC(CN(Cc2ccccc2F)C1)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C

InChI Key: InChIKey=LNPVLBQMPBOBIK-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 244170   
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))
BDBM244170
PNG
(US9546173, cmpd 102 | n-(1-(2-fluorobenzyl)-5-(met...)
Show SMILES CNC(=O)C1CC(CN(Cc2ccccc2F)C1)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C28H38FN7O3/c1-28(2)22-13-31-26(32-20-8-10-39-11-9-20)34-24(22)17-36(28)27(38)33-21-12-19(25(37)30-3)15-35(16-21)14-18-6-4-5-7-23(18)29/h4-7,13,19-21H,8-12,14-17H2,1-3H3,(H,30,37)(H,33,38)(H,31,32,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.31E+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