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SMILES: CN(C)c1nc2c(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c(F)c3)ccnc2[nH]1

InChI Key: InChIKey=NRTMTKOKWUMVGK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50482485   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50482485
PNG
(CHEMBL1213754)
Show SMILES CN(C)c1nc2c(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c(F)c3)ccnc2[nH]1
Show InChI InChI=1S/C22H17F5N6O2/c1-33(2)20-31-18-17(7-8-28-19(18)32-20)35-12-4-6-15(14(24)10-12)29-21(34)30-16-9-11(22(25,26)27)3-5-13(16)23/h3-10H,1-2H3,(H,28,31,32)(H2,29,30,34)
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 6.00E+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 53: 5639-55 (2010)


Article DOI: 10.1021/jm100383b
BindingDB Entry DOI: 10.7270/Q22V2JZS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50482485
PNG
(CHEMBL1213754)
Show SMILES CN(C)c1nc2c(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c(F)c3)ccnc2[nH]1
Show InChI InChI=1S/C22H17F5N6O2/c1-33(2)20-31-18-17(7-8-28-19(18)32-20)35-12-4-6-15(14(24)10-12)29-21(34)30-16-9-11(22(25,26)27)3-5-13(16)23/h3-10H,1-2H3,(H,28,31,32)(H2,29,30,34)
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 25n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant


J Med Chem 53: 5639-55 (2010)


Article DOI: 10.1021/jm100383b
BindingDB Entry DOI: 10.7270/Q22V2JZS
More data for this
Ligand-Target Pair