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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 = 'BDBM50484232'   
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))
BDBM50484232
PNG
(CHEMBL1822094)
Show SMILES CCNS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C16H16F2N6O4S/c1-3-20-29(26,27)24-11-5-4-10(17)12(13(11)18)15(25)21-8-6-9-14(19-7-8)22-23-16(9)28-2/h4-7,20,24H,3H2,1-2H3,(H,21,25)(H,19,22,23)
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 18n/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