BindingDB logo
myBDB logout

BDBM244244 US9546173, cmpd 164::n-(2-hydroxyethyl)-5,5-dimethyl-2-(phenylamino)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxamide

SMILES: CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCCO

InChI Key: InChIKey=FJOPVPPVUPLUMD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 244244   
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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM244244
PNG
(US9546173, cmpd 164 | n-(2-hydroxyethyl)-5,5-dimet...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCCO
Show InChI InChI=1S/C17H21N5O2/c1-17(2)13-10-19-15(20-12-6-4-3-5-7-12)21-14(13)11-22(17)16(24)18-8-9-23/h3-7,10,23H,8-9,11H2,1-2H3,(H,18,24)(H,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+4n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM244244
PNG
(US9546173, cmpd 164 | n-(2-hydroxyethyl)-5,5-dimet...)
Show SMILES CC1(C)N(Cc2nc(Nc3ccccc3)ncc12)C(=O)NCCO
Show InChI InChI=1S/C17H21N5O2/c1-17(2)13-10-19-15(20-12-6-4-3-5-7-12)21-14(13)11-22(17)16(24)18-8-9-23/h3-7,10,23H,8-9,11H2,1-2H3,(H,18,24)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.84E+4n/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