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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 = 'BDBM272552'   
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))
BDBM272552
PNG
(US10065967, Example 18 | US9745307, Example 18)
Show SMILES COc1ccccc1CN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1
Show InChI InChI=1S/C23H21N5O2/c1-14-9-15(7-8-24-14)22-18-10-17-13-28(12-16-5-3-4-6-21(16)30-2)23(29)25-19(17)11-20(18)26-27-22/h3-11H,12-13H2,1-2H3,(H,25,29)(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 0.800n/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))
BDBM272552
PNG
(US10065967, Example 18 | US9745307, Example 18)
Show SMILES COc1ccccc1CN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1
Show InChI InChI=1S/C23H21N5O2/c1-14-9-15(7-8-24-14)22-18-10-17-13-28(12-16-5-3-4-6-21(16)30-2)23(29)25-19(17)11-20(18)26-27-22/h3-11H,12-13H2,1-2H3,(H,25,29)(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 0.800n/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