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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 = 'BDBM272545'   
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))
BDBM272545
PNG
(7-(4-fluorobenzyl)-9-hydroxy-3-(2-methylpyridin-4-...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3N(O)C(=O)N(Cc4ccc(F)cc4)CCc3cc12
Show InChI InChI=1S/C23H20FN5O2/c1-14-10-17(6-8-25-14)22-19-11-16-7-9-28(13-15-2-4-18(24)5-3-15)23(30)29(31)21(16)12-20(19)26-27-22/h2-6,8,10-12,31H,7,9,13H2,1H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 459n/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))
BDBM272545
PNG
(7-(4-fluorobenzyl)-9-hydroxy-3-(2-methylpyridin-4-...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3N(O)C(=O)N(Cc4ccc(F)cc4)CCc3cc12
Show InChI InChI=1S/C23H20FN5O2/c1-14-10-17(6-8-25-14)22-19-11-16-7-9-28(13-15-2-4-18(24)5-3-15)23(30)29(31)21(16)12-20(19)26-27-22/h2-6,8,10-12,31H,7,9,13H2,1H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 459n/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