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SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N)nc2)c1F

InChI Key: InChIKey=CDDYERXWVMMNOR-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50484700   
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))
BDBM50484700
PNG
(CHEMBL1945019)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N)nc2)c1F
Show InChI InChI=1S/C15H16F2N4O3S/c1-2-7-25(23,24)21-11-5-4-10(16)13(14(11)17)15(22)20-9-3-6-12(18)19-8-9/h3-6,8,21H,2,7H2,1H3,(H2,18,19)(H,20,22)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484700
PNG
(CHEMBL1945019)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N)nc2)c1F
Show InChI InChI=1S/C15H16F2N4O3S/c1-2-7-25(23,24)21-11-5-4-10(16)13(14(11)17)15(22)20-9-3-6-12(18)19-8-9/h3-6,8,21H,2,7H2,1H3,(H2,18,19)(H,20,22)
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 920n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484700
PNG
(CHEMBL1945019)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N)nc2)c1F
Show InChI InChI=1S/C15H16F2N4O3S/c1-2-7-25(23,24)21-11-5-4-10(16)13(14(11)17)15(22)20-9-3-6-12(18)19-8-9/h3-6,8,21H,2,7H2,1H3,(H2,18,19)(H,20,22)
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 2.40E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair