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SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC(C)C)nn3c2)c1F

InChI Key: InChIKey=QZOFILITMYVOIR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50485106   
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))
BDBM50485106
PNG
(CHEMBL2030240)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC(C)C)nn3c2)c1F
Show InChI InChI=1S/C19H21F2N5O4S/c1-4-7-31(28,29)25-14-6-5-13(20)17(18(14)21)19(27)23-12-9-22-15-8-16(30-11(2)3)24-26(15)10-12/h5-6,8-11,25H,4,7H2,1-3H3,(H,23,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 149n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-raf V600E mutant


Bioorg Med Chem Lett 22: 1165-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.092
BindingDB Entry DOI: 10.7270/Q2RB77GQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485106
PNG
(CHEMBL2030240)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC(C)C)nn3c2)c1F
Show InChI InChI=1S/C19H21F2N5O4S/c1-4-7-31(28,29)25-14-6-5-13(20)17(18(14)21)19(27)23-12-9-22-15-8-16(30-11(2)3)24-26(15)10-12/h5-6,8-11,25H,4,7H2,1-3H3,(H,23,27)
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 449n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-raf V600E mutant-mediated Erk phosphorylation in human Malme3 cells


Bioorg Med Chem Lett 22: 1165-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.092
BindingDB Entry DOI: 10.7270/Q2RB77GQ
More data for this
Ligand-Target Pair