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BDBM243206 5,5-dimethyl-n-(pyridin-3-ylmethyl)-2-((tetrahydro-2h-pyran-4-yl)amino)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxamide::US9546173, cmpd 3

SMILES: CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccnc1

InChI Key: InChIKey=JPUGOAWRFQJEBQ-UHFFFAOYSA-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 = 243206   
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))
BDBM243206
PNG
(5,5-dimethyl-n-(pyridin-3-ylmethyl)-2-((tetrahydro...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1cccnc1
Show InChI InChI=1S/C20H26N6O2/c1-20(2)16-12-22-18(24-15-5-8-28-9-6-15)25-17(16)13-26(20)19(27)23-11-14-4-3-7-21-10-14/h3-4,7,10,12,15H,5-6,8-9,11,13H2,1-2H3,(H,23,27)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 894n/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...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair