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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 = 'BDBM383280'   
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))
BDBM383280
PNG
(4-(3-(4-chlorobenzyl)-3,4- dihydro-5-oxa-1,2,2a1- ...)
Show SMILES Cn1nccc1Nc1cc(ccn1)-c1cc2OC[C@H](Cc3ccc(Cl)cc3)c3nnc(c1)n23 |r|
Show InChI InChI=1S/C24H20ClN7O/c1-31-21(7-9-27-31)28-20-11-16(6-8-26-20)17-12-22-29-30-24-18(14-33-23(13-17)32(22)24)10-15-2-4-19(25)5-3-15/h2-9,11-13,18H,10,14H2,1H3,(H,26,28)/t18-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<0.0200n/an/an/an/an/an/a



Saarland University



Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


J Med Chem 51: 5009-18 (2008)


BindingDB Entry DOI: 10.7270/Q23X88ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM383280
PNG
(4-(3-(4-chlorobenzyl)-3,4- dihydro-5-oxa-1,2,2a1- ...)
Show SMILES Cn1nccc1Nc1cc(ccn1)-c1cc2OC[C@H](Cc3ccc(Cl)cc3)c3nnc(c1)n23 |r|
Show InChI InChI=1S/C24H20ClN7O/c1-31-21(7-9-27-31)28-20-11-16(6-8-26-20)17-12-22-29-30-24-18(14-33-23(13-17)32(22)24)10-15-2-4-19(25)5-3-15/h2-9,11-13,18H,10,14H2,1H3,(H,26,28)/t18-/m0/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<0.0200n/an/an/an/an/an/a



Saarland University



Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


J Med Chem 51: 5009-18 (2008)


BindingDB Entry DOI: 10.7270/Q23X88ZR
More data for this
Ligand-Target Pair