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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM272559'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM272559
PNG
(US10065967, Example 25 | US9745307, Example 25)
Show SMILES O=c1ccc2cc3c(n[nH]c3cc2[nH]1)N1CCCCC1
Show InChI InChI=1S/C15H14N4O/c20-14-5-4-10-8-11-13(9-12(10)16-14)17-18-15(11)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 42n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272559
PNG
(US10065967, Example 25 | US9745307, Example 25)
Show SMILES O=c1ccc2cc3c(n[nH]c3cc2[nH]1)N1CCCCC1
Show InChI InChI=1S/C15H14N4O/c20-14-5-4-10-8-11-13(9-12(10)16-14)17-18-15(11)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 42n/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)

More data for this
Ligand-Target Pair