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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 = 'BDBM50099977'   
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))
BDBM50099977
PNG
(6,7-Dimethoxy-4-(4-phenylamino-phenylamino)-quinol...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Nc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C24H20N4O2/c1-29-22-12-20-21(13-23(22)30-2)26-15-16(14-25)24(20)28-19-10-8-18(9-11-19)27-17-6-4-3-5-7-17/h3-13,15,27H,1-2H3,(H,26,28)
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PC cid
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PubMed
n/an/a 160n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50099977
PNG
(6,7-Dimethoxy-4-(4-phenylamino-phenylamino)-quinol...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Nc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C24H20N4O2/c1-29-22-12-20-21(13-23(22)30-2)26-15-16(14-25)24(20)28-19-10-8-18(9-11-19)27-17-6-4-3-5-7-17/h3-13,15,27H,1-2H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair