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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 = 'BDBM272553'   
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))
BDBM272553
PNG
(US10065967, Example 19 | US9745307, Example 19)
Show SMILES COc1ccccc1CCN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1
Show InChI InChI=1S/C24H23N5O2/c1-15-11-17(7-9-25-15)23-19-12-18-14-29(10-8-16-5-3-4-6-22(16)31-2)24(30)26-20(18)13-21(19)27-28-23/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,26,30)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/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))
BDBM272553
PNG
(US10065967, Example 19 | US9745307, Example 19)
Show SMILES COc1ccccc1CCN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1
Show InChI InChI=1S/C24H23N5O2/c1-15-11-17(7-9-25-15)23-19-12-18-14-29(10-8-16-5-3-4-6-22(16)31-2)24(30)26-20(18)13-21(19)27-28-23/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,26,30)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/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