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SMILES: Cn1c2c(Oc3ccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O

InChI Key: InChIKey=DIKYFMVHLLRVPI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50480107   
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))
BDBM50480107
PNG
(CHEMBL496081)
Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
Show InChI InChI=1S/C28H27N5O3/c1-28(2,3)17-8-7-9-18(16-17)30-26(34)31-21-12-13-22(20-11-6-5-10-19(20)21)36-23-14-15-29-25-24(23)33(4)27(35)32-25/h5-16H,1-4H3,(H,29,32,35)(H2,30,31,34)
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 37n/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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50480107
PNG
(CHEMBL496081)
Show SMILES Cn1c2c(Oc3ccc(NC(=O)Nc4cccc(c4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
Show InChI InChI=1S/C28H27N5O3/c1-28(2,3)17-8-7-9-18(16-17)30-26(34)31-21-12-13-22(20-11-6-5-10-19(20)21)36-23-14-15-29-25-24(23)33(4)27(35)32-25/h5-16H,1-4H3,(H,29,32,35)(H2,30,31,34)
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 1.06E+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 52: 3881-91 (2009)


Article DOI: 10.1021/jm900242c
BindingDB Entry DOI: 10.7270/Q2Z03BZ4
More data for this
Ligand-Target Pair