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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM50194029'   
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))
BDBM50194029
PNG
(5-4-3-chloro-2-fluorophenoxy)phenylamino)-3-hydrox...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(Cl)c3F)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18ClFN4O3S/c1-10(9-26)23-17(22)15-18(27)25-29-19(15)24-11-5-7-12(8-6-11)28-14-4-2-3-13(20)16(14)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194029
PNG
(5-4-3-chloro-2-fluorophenoxy)phenylamino)-3-hydrox...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(Cl)c3F)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18ClFN4O3S/c1-10(9-26)23-17(22)15-18(27)25-29-19(15)24-11-5-7-12(8-6-11)28-14-4-2-3-13(20)16(14)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair