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SMILES: CC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)c1

InChI Key: InChIKey=WUSFXXWYVCRBMP-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 = 50480110   
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))
BDBM50480110
PNG
(CHEMBL496073)
Show SMILES CC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)c1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)16-7-6-8-17(15-16)29-25(33)30-20-11-12-21(19-10-5-4-9-18(19)20)35-22-13-14-28-24-23(22)31-26(34)32-24/h4-15H,1-3H3,(H2,29,30,33)(H2,28,31,32,34)
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 1.93E+4n/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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50480110
PNG
(CHEMBL496073)
Show SMILES CC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)c1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)16-7-6-8-17(15-16)29-25(33)30-20-11-12-21(19-10-5-4-9-18(19)20)35-22-13-14-28-24-23(22)31-26(34)32-24/h4-15H,1-3H3,(H2,29,30,33)(H2,28,31,32,34)
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 79n/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