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BDBM203968 US9242996, 97

SMILES: C[C@H]1CN(C[C@@H](C)O1)c1cnc(N)c(c1)-c1ccc(cc1)C(=O)N[C@H](CO)c1ccccc1

InChI Key: InChIKey=ULBSUSINAPHDBL-QBRAGROPNA-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 = 203968   
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))
BDBM203968
PNG
(US9242996, 97)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cnc(N)c(c1)-c1ccc(cc1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1/C26H30N4O3/c1-17-14-30(15-18(2)33-17)22-12-23(25(27)28-13-22)19-8-10-21(11-9-19)26(32)29-24(16-31)20-6-4-3-5-7-20/h3-13,17-18,24,31H,14-16H2,1-2H3,(H2,27,28)(H,29,32)/t17-,18+,24-/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 110n/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))
BDBM203968
PNG
(US9242996, 97)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cnc(N)c(c1)-c1ccc(cc1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1/C26H30N4O3/c1-17-14-30(15-18(2)33-17)22-12-23(25(27)28-13-22)19-8-10-21(11-9-19)26(32)29-24(16-31)20-6-4-3-5-7-20/h3-13,17-18,24,31H,14-16H2,1-2H3,(H2,27,28)(H,29,32)/t17-,18+,24-/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 233n/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