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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 = 'BDBM421882'   
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))
BDBM421882
PNG
((S)-7-(2-(4-(4-(1-(2-Hydroxyethyl)-1H-1,2,4-triazo...)
Show SMILES CC(C)Oc1ccc(cn1)-c1n[nH]c2ccc(cc12)N1CC[C@]2(CCN(CC(=O)N3CCC(=CC3)c3ccc(cc3)-c3ncn(CCO)n3)C2)C1=O |r,c:35|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Recurium IP Holdings, LLC

US Patent


Assay Description
Activated ERK1 and ERK2 activity was determined in a Mobility Shift Assay (MSA) format as follows: Compound and kinase solution were prepared with as...


US Patent US10525036 (2020)


BindingDB Entry DOI: 10.7270/Q26Q20N0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM421882
PNG
((S)-7-(2-(4-(4-(1-(2-Hydroxyethyl)-1H-1,2,4-triazo...)
Show SMILES CC(C)Oc1ccc(cn1)-c1n[nH]c2ccc(cc12)N1CC[C@]2(CCN(CC(=O)N3CCC(=CC3)c3ccc(cc3)-c3ncn(CCO)n3)C2)C1=O |r,c:35|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Recurium IP Holdings, LLC

US Patent


Assay Description
Activated ERK1 and ERK2 activity was determined in a Mobility Shift Assay (MSA) format as follows: Compound and kinase solution were prepared with as...


US Patent US10493060 (2019)


BindingDB Entry DOI: 10.7270/Q2SQ92R3
More data for this
Ligand-Target Pair