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BDBM272540 US10065967, Example 6::US9745307, Example 6

SMILES: Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12

InChI Key: InChIKey=MNSQBNBSWCBRNJ-UHFFFAOYSA-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 = 272540   
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))
BDBM272540
PNG
(US10065967, Example 6 | US9745307, Example 6)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12
Show InChI InChI=1S/C14H10BrN5O/c1-20-6-8(5-16-20)13-9-2-7-3-10(15)14(21)17-11(7)4-12(9)18-19-13/h2-6H,1H3,(H,17,21)(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.300n/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 US9745307 (2017)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272540
PNG
(US10065967, Example 6 | US9745307, Example 6)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12
Show InChI InChI=1S/C14H10BrN5O/c1-20-6-8(5-16-20)13-9-2-7-3-10(15)14(21)17-11(7)4-12(9)18-19-13/h2-6H,1H3,(H,17,21)(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.300n/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 US10065967 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2CF9S47
More data for this
Ligand-Target Pair