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SMILES: FCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl

InChI Key: InChIKey=VTGGMWJPSUGDEJ-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 = 50484695   
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))
BDBM50484695
PNG
(CHEMBL1939073)
Show SMILES FCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl
Show InChI InChI=1S/C19H18ClF2N5O3S/c20-16-14(27-31(29,30)7-1-6-21)5-4-13(22)15(16)19(28)24-11-8-12-17(10-2-3-10)25-26-18(12)23-9-11/h4-5,8-10,27H,1-3,6-7H2,(H,24,28)(H,23,25,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 912-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484695
PNG
(CHEMBL1939073)
Show SMILES FCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl
Show InChI InChI=1S/C19H18ClF2N5O3S/c20-16-14(27-31(29,30)7-1-6-21)5-4-13(22)15(16)19(28)24-11-8-12-17(10-2-3-10)25-26-18(12)23-9-11/h4-5,8-10,27H,1-3,6-7H2,(H,24,28)(H,23,25,26)
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 51n/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


Bioorg Med Chem Lett 22: 912-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648
More data for this
Ligand-Target Pair