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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 = 'BDBM272538'   
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))
BDBM272538
PNG
(3-(1-methyl-1H-pyrazol-4-yl)-1,8-dihydro-7H-pyrazo...)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)ccc3cc12
Show InChI InChI=1S/C14H9N5O/c1-19-7-9(6-15-19)14-10-4-8-2-3-13(20)16-11(8)5-12(10)17-18-14/h2-7H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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))
BDBM272538
PNG
(3-(1-methyl-1H-pyrazol-4-yl)-1,8-dihydro-7H-pyrazo...)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)ccc3cc12
Show InChI InChI=1S/C14H9N5O/c1-19-7-9(6-15-19)14-10-4-8-2-3-13(20)16-11(8)5-12(10)17-18-14/h2-7H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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