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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 = 'BDBM50484212'   
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))
BDBM50484212
PNG
(CHEMBL1822264)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccs4)c3F)cc12
Show InChI InChI=1S/C18H13F2N5O4S2/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24)
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 0.200n/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