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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 = 'BDBM418273'   
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))
BDBM418273
PNG
((2R)-2-(6-{5-chloro-2-[(2-methyl-2H- 1,2,3-triazol...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(Nc2cnn(C)n2)ncc1Cl)C(=O)N[C@H](CO)c1nc(ccc1F)N(C)C |r|
Show InChI InChI=1S/C27H28ClFN10O3/c1-14(25(41)32-20(13-40)24-19(29)7-8-22(34-24)37(2)3)39-12-16-6-5-15(9-17(16)26(39)42)23-18(28)10-30-27(35-23)33-21-11-31-38(4)36-21/h5-11,14,20,40H,12-13H2,1-4H3,(H,32,41)(H,30,33,35,36)/t14-,20-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US11001575 (2021)


BindingDB Entry DOI: 10.7270/Q2TB1B01
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM418273
PNG
((2R)-2-(6-{5-chloro-2-[(2-methyl-2H- 1,2,3-triazol...)
Show SMILES C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(Nc2cnn(C)n2)ncc1Cl)C(=O)N[C@H](CO)c1nc(ccc1F)N(C)C |r|
Show InChI InChI=1S/C27H28ClFN10O3/c1-14(25(41)32-20(13-40)24-19(29)7-8-22(34-24)37(2)3)39-12-16-6-5-15(9-17(16)26(39)42)23-18(28)10-30-27(35-23)33-21-11-31-38(4)36-21/h5-11,14,20,40H,12-13H2,1-4H3,(H,32,41)(H,30,33,35,36)/t14-,20-/m1/s1
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 1.70n/an/an/an/an/an/a



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...


US Patent US10457669 (2019)


BindingDB Entry DOI: 10.7270/Q2B27XNR
More data for this
Ligand-Target Pair