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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50484242'   
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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484242
PNG
(CHEMBL1822257)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)cc12
Show InChI InChI=1S/C20H14F3N5O4S/c1-32-20-11-8-10(9-24-18(11)26-27-20)25-19(29)16-13(22)6-7-14(17(16)23)28-33(30,31)15-5-3-2-4-12(15)21/h2-9,28H,1H3,(H,25,29)(H,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair