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BDBM201757 US9233979, 188

SMILES: C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3COC3)c2cn1)c1ccccc1

InChI Key: InChIKey=ODKNZTQWSGIRMU-LDGXTIHJNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 201757   
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))
BDBM201757
PNG
(US9233979, 188)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3COC3)c2cn1)c1ccccc1
Show InChI InChI=1/C18H20N6O2/c1-11(12-5-3-2-4-6-12)20-18(25)22-16-7-15-14(8-19-16)17(24-23-15)21-13-9-26-10-13/h2-8,11,13H,9-10H2,1H3,(H2,21,23,24)(H2,19,20,22,25)/t11-/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 146n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair