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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'homma' and Initial = 's'   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50209764
PNG
(CHEMBL3884776)
Show SMILES O[C@H]1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)C[C@H]1O |r|
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2/t13-,14+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of full length human GST-tagged MEK1 using ERK1/ERK2 peptide substrate in presence of ATP by ADP-Glo chemiluminescence assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50209763
PNG
(CHEMBL3883792)
Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2
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n/an/a 400n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50209763
PNG
(CHEMBL3883792)
Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2
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n/an/a 400n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50478865
PNG
(CHEBI:66641 | NYMPHAEOL B)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])ccc1-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-17(9-10-19(27)25(18)30)22-13-21(29)24-20(28)11-16(26)12-23(24)31-22/h5,7,9-12,22,26-28,30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1
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n/an/a 8.71E+3n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in mouse lung fibroblast assessed as PGE2 production by radioimmunoassay


J Nat Prod 68: 927-30 (2005)


Article DOI: 10.1021/np0500272
BindingDB Entry DOI: 10.7270/Q2765J45
More data for this
Ligand-Target Pair