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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 = 'BDBM272549'   
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))
BDBM272549
PNG
((R)-3-(1-methyl-1H-benzo[d][1,2,3]triazol-6-yl)-6-...)
Show SMILES C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(-c4ccc5nnn(C)c5c4)c3cc2c1=O
Show InChI InChI=1S/C24H17N7O2/c1-13(14-6-4-3-5-7-14)31-23(32)17-11-16-20(12-19(17)25-24(31)33)26-28-22(16)15-8-9-18-21(10-15)30(2)29-27-18/h3-13H,1-2H3/t13-/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 1.70n/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))
BDBM272549
PNG
((R)-3-(1-methyl-1H-benzo[d][1,2,3]triazol-6-yl)-6-...)
Show SMILES C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(-c4ccc5nnn(C)c5c4)c3cc2c1=O
Show InChI InChI=1S/C24H17N7O2/c1-13(14-6-4-3-5-7-14)31-23(32)17-11-16-20(12-19(17)25-24(31)33)26-28-22(16)15-8-9-18-21(10-15)30(2)29-27-18/h3-13H,1-2H3/t13-/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 1.70n/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