BindingDB logo
myBDB logout

BDBM199697 US9226922, 333

SMILES: COc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(F)c3)nc(CO)c12

InChI Key: InChIKey=JJNOQMFXXWRIEQ-IMWMWJONNA-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 = 199697   
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))
BDBM199697
PNG
(US9226922, 333)
Show SMILES COc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(F)c3)nc(CO)c12
Show InChI InChI=1/C17H18FN5O3/c1-9(10-4-3-5-11(18)6-10)19-17(25)21-14-7-12-15(13(8-24)20-14)16(26-2)23-22-12/h3-7,9,24H,8H2,1-2H3,(H,22,23)(H2,19,20,21,25)/t9-/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 1.60n/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 dete...


US Patent US9226922 (2016)


BindingDB Entry DOI: 10.7270/Q2PG1QJW
More data for this
Ligand-Target Pair