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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 = 'BDBM272786'   
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))
BDBM272786
PNG
(US10065967, Example 37 | US9745307, Example 37)
Show SMILES C[C@@H](N1Cc2cc3c(OCCO)n[nH]c3cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C19H20N4O3/c1-12(13-5-3-2-4-6-13)23-11-14-9-15-17(10-16(14)20-19(23)25)21-22-18(15)26-8-7-24/h2-6,9-10,12,24H,7-8,11H2,1H3,(H,20,25)(H,21,22)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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))
BDBM272786
PNG
(US10065967, Example 37 | US9745307, Example 37)
Show SMILES C[C@@H](N1Cc2cc3c(OCCO)n[nH]c3cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C19H20N4O3/c1-12(13-5-3-2-4-6-13)23-11-14-9-15-17(10-16(14)20-19(23)25)21-22-18(15)26-8-7-24/h2-6,9-10,12,24H,7-8,11H2,1H3,(H,20,25)(H,21,22)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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