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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 = 'BDBM50176323'   
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))
BDBM50176323
PNG
(1-(2-(4-(4-chloro-3-hydroxyphenyl)-5-(pyridin-4-yl...)
Show SMILES CC(C)(CNC(=O)Nc1ccc(Cl)cc1)c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-25(2,14-29-24(34)30-18-6-4-17(26)5-7-18)23-31-21(15-9-11-28-12-10-15)22(32-23)16-3-8-19(27)20(33)13-16/h3-13,33H,14H2,1-2H3,(H,31,32)(H2,29,30,34)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition bRaf kinase activity


Bioorg Med Chem Lett 16: 378-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.072
BindingDB Entry DOI: 10.7270/Q2Z038Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50176323
PNG
(1-(2-(4-(4-chloro-3-hydroxyphenyl)-5-(pyridin-4-yl...)
Show SMILES CC(C)(CNC(=O)Nc1ccc(Cl)cc1)c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-25(2,14-29-24(34)30-18-6-4-17(26)5-7-18)23-31-21(15-9-11-28-12-10-15)22(32-23)16-3-8-19(27)20(33)13-16/h3-13,33H,14H2,1-2H3,(H,31,32)(H2,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 21n/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at bRaf kinase in fluorescent ligand displacement assay


Bioorg Med Chem Lett 16: 378-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.072
BindingDB Entry DOI: 10.7270/Q2Z038Z9
More data for this
Ligand-Target Pair