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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAF proto-oncogene serine/threonine-protein kinase' and Ligand = 'BDBM50428286'   
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
PDB
MMDB

NCI pathway
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KEGG

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DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to CRAF in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair