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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50132261   
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))		BDBM50132261
PNG
(4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCS(=O)CC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S2/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(37-2)15-21(23)27)38-11-3-7-35-9-12-40(36)13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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PubMed
n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay

Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair