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SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4nc(N)c(=O)[nH]c34)c3ccccc23)n(n1)-c1ccccc1

InChI Key: InChIKey=GZLUSKKVLZNIIS-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 = 50482518   
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))
BDBM50482518
PNG
(CHEMBL1214382)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4nc(N)c(=O)[nH]c34)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C31H28N8O3/c1-31(2,3)24-17-25(39(38-24)18-9-5-4-6-10-18)35-30(41)34-21-13-14-22(20-12-8-7-11-19(20)21)42-23-15-16-33-28-26(23)36-29(40)27(32)37-28/h4-17H,1-3H3,(H,36,40)(H2,32,33,37)(H2,34,35,41)
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 36n/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))
BDBM50482518
PNG
(CHEMBL1214382)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4nc(N)c(=O)[nH]c34)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C31H28N8O3/c1-31(2,3)24-17-25(39(38-24)18-9-5-4-6-10-18)35-30(41)34-21-13-14-22(20-12-8-7-11-19(20)21)42-23-15-16-33-28-26(23)36-29(40)27(32)37-28/h4-17H,1-3H3,(H,36,40)(H2,32,33,37)(H2,34,35,41)
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 405n/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