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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 = 'BDBM50496951'   
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))
BDBM50496951
PNG
(CHEMBL3236461)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1F
Show InChI InChI=1S/C18H18F2N4O3S/c1-3-8-28(26,27)23-15-7-5-13(19)17(16(15)20)22-11-4-6-14-12(9-11)18(25)24(2)10-21-14/h4-7,9-10,22-23H,3,8H2,1-2H3
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 19n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50496951
PNG
(CHEMBL3236461)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1F
Show InChI InChI=1S/C18H18F2N4O3S/c1-3-8-28(26,27)23-15-7-5-13(19)17(16(15)20)22-11-4-6-14-12(9-11)18(25)24(2)10-21-14/h4-7,9-10,22-23H,3,8H2,1-2H3
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 55n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation


Bioorg Med Chem Lett 24: 1923-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair