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BDBM244194 (s)-n-(2-hydroxy-1-(m-tolyl)ethyl)-5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxamide::US9546173, cmpd 127

SMILES: Cc1cccc(c1)[C@@H](CO)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C

InChI Key: InChIKey=CAGPOTSTZFUWIL-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 = 244194   
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))
BDBM244194
PNG
((s)-n-(2-hydroxy-1-(m-tolyl)ethyl)-5,5-dimethyl-2-...)
Show SMILES Cc1cccc(c1)[C@@H](CO)NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C
Show InChI InChI=1S/C23H31N5O3/c1-15-5-4-6-16(11-15)20(14-29)27-22(30)28-13-19-18(23(28,2)3)12-24-21(26-19)25-17-7-9-31-10-8-17/h4-6,11-12,17,20,29H,7-10,13-14H2,1-3H3,(H,27,30)(H,24,25,26)/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 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