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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50480097'   
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))
BDBM50480097
PNG
(CHEMBL498025)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2Cl)ccc1Cl
Show InChI InChI=1S/C20H12Cl2F3N5O3/c21-12-3-1-9(7-11(12)20(23,24)25)27-18(31)28-14-4-2-10(8-13(14)22)33-15-5-6-26-17-16(15)29-19(32)30-17/h1-8H,(H2,27,28,31)(H2,26,29,30,32)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant


J Med Chem 52: 3881-91 (2009)


Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50480097
PNG
(CHEMBL498025)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2Cl)ccc1Cl
Show InChI InChI=1S/C20H12Cl2F3N5O3/c21-12-3-1-9(7-11(12)20(23,24)25)27-18(31)28-14-4-2-10(8-13(14)22)33-15-5-6-26-17-16(15)29-19(32)30-17/h1-8H,(H2,27,28,31)(H2,26,29,30,32)
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 1.33E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant-mediated ERK phosphorylation in human WM266.4 cells


J Med Chem 52: 3881-91 (2009)


Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4
More data for this
Ligand-Target Pair