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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 = 'BDBM272575'   
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))
BDBM272575
PNG
(US10065967, Example 35 | US9745307, Example 35)
Show SMILES COc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
Show InChI InChI=1S/C18H18N4O2/c1-11(12-6-4-3-5-7-12)22-10-13-8-14-16(20-21-17(14)24-2)9-15(13)19-18(22)23/h3-9,11H,10H2,1-2H3,(H,19,23)(H,20,21)/t11-/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 114n/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))
BDBM272575
PNG
(US10065967, Example 35 | US9745307, Example 35)
Show SMILES COc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
Show InChI InChI=1S/C18H18N4O2/c1-11(12-6-4-3-5-7-12)22-10-13-8-14-16(20-21-17(14)24-2)9-15(13)19-18(22)23/h3-9,11H,10H2,1-2H3,(H,19,23)(H,20,21)/t11-/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 114n/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