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BDBM157735 US9023865, 576

SMILES: CN(C1CCCCC1)C(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1

InChI Key: InChIKey=NVAZXBMLBYRTOG-UHFFFAOYSA-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 = 157735   
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))
BDBM157735
PNG
(US9023865, 576)
Show SMILES CN(C1CCCCC1)C(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1
Show InChI InChI=1S/C20H24N6O/c1-13-10-14(8-9-21-13)19-16-12-22-18(11-17(16)24-25-19)23-20(27)26(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,24,25)(H,22,23,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.45E+3n/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 US9023865 (2015)


BindingDB Entry DOI: 10.7270/Q2PN94CC
More data for this
Ligand-Target Pair