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

InChI Key: InChIKey=ARKJYDQWCPNMLG-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 = 50484693   
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))
BDBM50484693
PNG
(CHEMBL1939072)
Show SMILES CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl
Show InChI InChI=1S/C20H21ClFN5O3S/c1-10(2)9-31(29,30)27-15-6-5-14(22)16(17(15)21)20(28)24-12-7-13-18(11-3-4-11)25-26-19(13)23-8-12/h5-8,10-11,27H,3-4,9H2,1-2H3,(H,24,28)(H,23,25,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484693
PNG
(CHEMBL1939072)
Show SMILES CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl
Show InChI InChI=1S/C20H21ClFN5O3S/c1-10(2)9-31(29,30)27-15-6-5-14(22)16(17(15)21)20(28)24-12-7-13-18(11-3-4-11)25-26-19(13)23-8-12/h5-8,10-11,27H,3-4,9H2,1-2H3,(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 2n/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