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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 = 'BDBM272543'   
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))
BDBM272543
PNG
(3-(2-methylpyridin-4-yl)-5,6,7,9-tetrahydroazepino...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)CCCc3cc12
Show InChI InChI=1S/C17H16N4O/c1-10-7-12(5-6-18-10)17-13-8-11-3-2-4-16(22)19-14(11)9-15(13)20-21-17/h5-9H,2-4H2,1H3,(H,19,22)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 252n/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))
BDBM272543
PNG
(3-(2-methylpyridin-4-yl)-5,6,7,9-tetrahydroazepino...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)CCCc3cc12
Show InChI InChI=1S/C17H16N4O/c1-10-7-12(5-6-18-10)17-13-8-11-3-2-4-16(22)19-14(11)9-15(13)20-21-17/h5-9H,2-4H2,1H3,(H,19,22)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 252n/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