BindingDB logo
myBDB logout

null

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F

InChI Key: InChIKey=WWMXFNLVPRQJSD-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50496952   
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))
BDBM50496952
PNG
(CHEMBL3236466)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F
Show InChI InChI=1S/C19H20F2N4O3S/c1-4-9-29(27,28)23-16-8-6-14(20)18(17(16)21)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation


Bioorg Med Chem Lett 24: 1923-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50496952
PNG
(CHEMBL3236466)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F
Show InChI InChI=1S/C19H20F2N4O3S/c1-4-9-29(27,28)23-16-8-6-14(20)18(17(16)21)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)