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BDBM50474842 CHEMBL365404

SMILES: COc1cc(CN(CCc2ccccn2)C(=O)C2CC2c2ccccc2)ccc1OCc1ccccc1

InChI Key: InChIKey=WUCPBGMDXNJIMY-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50474842   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK)


(Homo sapiens (Human))
BDBM50474842
PNG
(CHEMBL365404)
Show SMILES COc1cc(CN(CCc2ccccn2)C(=O)C2CC2c2ccccc2)ccc1OCc1ccccc1
Show InChI InChI=1S/C32H32N2O3/c1-36-31-20-25(15-16-30(31)37-23-24-10-4-2-5-11-24)22-34(19-17-27-14-8-9-18-33-27)32(35)29-21-28(29)26-12-6-3-7-13-26/h2-16,18,20,28-29H,17,19,21-23H2,1H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair