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BDBM50235826 CHEMBL4087963

SMILES: Cc1n[nH]c2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12

InChI Key: InChIKey=AVZLWQIRCCLZBT-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50235826   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50235826
PNG
(CHEMBL4087963)
Show SMILES Cc1n[nH]c2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
Show InChI InChI=1S/C16H13F3N6O/c1-8-10-3-2-9(6-12(10)25-24-8)21-15-22-11-4-5-26-13(11)14(23-15)20-7-16(17,18)19/h2-6H,7H2,1H3,(H,24,25)(H2,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR...


Bioorg Med Chem Lett 26: 5562-5567 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50235826
PNG
(CHEMBL4087963)
Show SMILES Cc1n[nH]c2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
Show InChI InChI=1S/C16H13F3N6O/c1-8-10-3-2-9(6-12(10)25-24-8)21-15-22-11-4-5-26-13(11)14(23-15)20-7-16(17,18)19/h2-6H,7H2,1H3,(H,24,25)(H2,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 87n/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Syk in human Ramos B cells assessed as decrease in intracellular calcium flux measured for 3.5 mins by calcium-5 dye based FLIPR assay


Bioorg Med Chem Lett 26: 5562-5567 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V
More data for this
Ligand-Target Pair