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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 = 'BDBM50484262'   
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))
BDBM50484262
PNG
(CHEMBL1822252)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC(F)(F)F)c3c2)c1F
Show InChI InChI=1S/C18H16F5N5O4S/c1-2-5-33(30,31)28-12-4-3-11(19)13(14(12)20)16(29)25-9-6-10-15(24-7-9)26-27-17(10)32-8-18(21,22)23/h3-4,6-7,28H,2,5,8H2,1H3,(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 5.30n/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