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SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2cnn(C)c2)c1F

InChI Key: InChIKey=IWLZUBPFJHWBBW-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50485108   
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))
BDBM50485108
PNG
(CHEMBL2030246)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C20H19F2N7O3S/c1-3-6-33(31,32)27-15-5-4-14(21)18(19(15)22)20(30)25-13-9-23-17-7-16(26-29(17)11-13)12-8-24-28(2)10-12/h4-5,7-11,27H,3,6H2,1-2H3,(H,25,30)
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 48n/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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485108
PNG
(CHEMBL2030246)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C20H19F2N7O3S/c1-3-6-33(31,32)27-15-5-4-14(21)18(19(15)22)20(30)25-13-9-23-17-7-16(26-29(17)11-13)12-8-24-28(2)10-12/h4-5,7-11,27H,3,6H2,1-2H3,(H,25,30)
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 13n/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