BindingDB logo
myBDB logout

null

SMILES: FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2)ccc1Cl

InChI Key: InChIKey=WVZQOIFRERLBHI-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 2 hits for monomerid = 50482486   
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))
BDBM50482486
PNG
(CHEMBL1213821)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2)ccc1Cl
Show InChI InChI=1S/C21H13ClF3N5O3/c22-15-6-3-12(9-14(15)21(23,24)25)29-20(32)28-11-1-4-13(5-2-11)33-16-7-8-26-19-18(16)27-10-17(31)30-19/h1-10H,(H,26,30,31)(H2,28,29,32)
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 4.89E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant-mediated ERK phosphorylation in human WM266.4 cells


J Med Chem 53: 5639-55 (2010)


Article DOI: 10.1021/jm100383b
BindingDB Entry DOI: 10.7270/Q22V2JZS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50482486
PNG
(CHEMBL1213821)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2)ccc1Cl
Show InChI InChI=1S/C21H13ClF3N5O3/c22-15-6-3-12(9-14(15)21(23,24)25)29-20(32)28-11-1-4-13(5-2-11)33-16-7-8-26-19-18(16)27-10-17(31)30-19/h1-10H,(H,26,30,31)(H2,28,29,32)
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 11n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant


J Med Chem 53: 5639-55 (2010)


Article DOI: 10.1021/jm100383b
BindingDB Entry DOI: 10.7270/Q22V2JZS
More data for this
Ligand-Target Pair