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BDBM203993 US9242996, 122

SMILES: Nc1ncc(cc1-c1ccc(cc1)C(=O)N[C@H](CO)c1ccccc1)N1CCOCC1

InChI Key: InChIKey=DCMYPMOALJQQLL-ANBDAQEENA-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 = 203993   
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))
BDBM203993
PNG
(US9242996, 122)
Show SMILES Nc1ncc(cc1-c1ccc(cc1)C(=O)N[C@H](CO)c1ccccc1)N1CCOCC1
Show InChI InChI=1/C24H26N4O3/c25-23-21(14-20(15-26-23)28-10-12-31-13-11-28)17-6-8-19(9-7-17)24(30)27-22(16-29)18-4-2-1-3-5-18/h1-9,14-15,22,29H,10-13,16H2,(H2,25,26)(H,27,30)/t22-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 is determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pepti...


US Patent US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM203993
PNG
(US9242996, 122)
Show SMILES Nc1ncc(cc1-c1ccc(cc1)C(=O)N[C@H](CO)c1ccccc1)N1CCOCC1
Show InChI InChI=1/C24H26N4O3/c25-23-21(14-20(15-26-23)28-10-12-31-13-11-28)17-6-8-19(9-7-17)24(30)27-22(16-29)18-4-2-1-3-5-18/h1-9,14-15,22,29H,10-13,16H2,(H2,25,26)(H,27,30)/t22-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.38n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair