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BDBM244181 (r)-5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-n-(1-tosylpiperidin-3-yl)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxamide::US9546173, cmpd 114

SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C

InChI Key: InChIKey=WICONWFJYJZMSC-HXUWFJFHSA-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 = 244181   
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))
BDBM244181
PNG
((r)-5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amin...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C26H36N6O4S/c1-18-6-8-21(9-7-18)37(34,35)31-12-4-5-20(16-31)29-25(33)32-17-23-22(26(32,2)3)15-27-24(30-23)28-19-10-13-36-14-11-19/h6-9,15,19-20H,4-5,10-14,16-17H2,1-3H3,(H,29,33)(H,27,28,30)/t20-/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 176n/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