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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 = 'BDBM272558'   
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))
BDBM272558
PNG
(3-morpholino-1-pyrazolo[4,3-g]quinolin-7(8H)-one |...)
Show SMILES O=c1ccc2cc3c(n[nH]c3cc2[nH]1)N1CCOCC1
Show InChI InChI=1S/C14H12N4O2/c19-13-2-1-9-7-10-12(8-11(9)15-13)16-17-14(10)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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))
BDBM272558
PNG
(3-morpholino-1-pyrazolo[4,3-g]quinolin-7(8H)-one |...)
Show SMILES O=c1ccc2cc3c(n[nH]c3cc2[nH]1)N1CCOCC1
Show InChI InChI=1S/C14H12N4O2/c19-13-2-1-9-7-10-12(8-11(9)15-13)16-17-14(10)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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