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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 = 'BDBM50194034'   
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))
BDBM50194034
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)
Show SMILES NC(=NCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2|
Show InChI InChI=1S/C22H23Cl2N5O3S/c23-14-1-6-17(24)18(13-14)32-16-4-2-15(3-5-16)27-22-19(21(30)28-33-22)20(25)26-7-8-29-9-11-31-12-10-29/h1-6,13,27H,7-12H2,(H2,25,26)(H,28,30)
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MMDB

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Article
PubMed
n/an/a 40n/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))
BDBM50194034
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)
Show SMILES NC(=NCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2|
Show InChI InChI=1S/C22H23Cl2N5O3S/c23-14-1-6-17(24)18(13-14)32-16-4-2-15(3-5-16)27-22-19(21(30)28-33-22)20(25)26-7-8-29-9-11-31-12-10-29/h1-6,13,27H,7-12H2,(H2,25,26)(H,28,30)
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 35n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


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