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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 = 'BDBM50482019'   
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))
BDBM50482019
PNG
(CHEMBL1092523)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H23N7O3/c1-15(2)19-14-21(32(31-19)17-6-4-3-5-7-17)28-24(33)27-16-8-10-18(11-9-16)35-20-12-13-26-23-22(20)29-25(34)30-23/h3-15H,1-2H3,(H2,27,28,33)(H2,26,29,30,34)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human BRAF V600E mutant expressed in baculovirus system


J Med Chem 53: 2741-56 (2010)


Article DOI: 10.1021/jm900607f
BindingDB Entry DOI: 10.7270/Q2WD43CH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50482019
PNG
(CHEMBL1092523)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H23N7O3/c1-15(2)19-14-21(32(31-19)17-6-4-3-5-7-17)28-24(33)27-16-8-10-18(11-9-16)35-20-12-13-26-23-22(20)29-25(34)30-23/h3-15H,1-2H3,(H2,27,28,33)(H2,26,29,30,34)
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 1.97E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


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


J Med Chem 53: 2741-56 (2010)


Article DOI: 10.1021/jm900607f
BindingDB Entry DOI: 10.7270/Q2WD43CH
More data for this
Ligand-Target Pair