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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 = 'BDBM50194060'   
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))
BDBM50194060
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-3...)
Show SMILES NC(=NCCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2|
Show InChI InChI=1S/C23H25Cl2N5O3S/c24-15-2-7-18(25)19(14-15)33-17-5-3-16(4-6-17)28-23-20(22(31)29-34-23)21(26)27-8-1-9-30-10-12-32-13-11-30/h2-7,14,28H,1,8-13H2,(H2,26,27)(H,29,31)
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PC cid
PC sid
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Article
PubMed
n/an/a 147n/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))
BDBM50194060
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-3...)
Show SMILES NC(=NCCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2|
Show InChI InChI=1S/C23H25Cl2N5O3S/c24-15-2-7-18(25)19(14-15)33-17-5-3-16(4-6-17)28-23-20(22(31)29-34-23)21(26)27-8-1-9-30-10-12-32-13-11-30/h2-7,14,28H,1,8-13H2,(H2,26,27)(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 284n/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