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BDBM50235834 CHEMBL4088907

SMILES: FC(F)(F)CNc1nc(Nc2ccc3CCC(=O)Nc3c2)nc2ccoc12

InChI Key: InChIKey=WSFYPKMMFQPXHF-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 = 50235834   
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))
BDBM50235834
PNG
(CHEMBL4088907)
Show SMILES FC(F)(F)CNc1nc(Nc2ccc3CCC(=O)Nc3c2)nc2ccoc12
Show InChI InChI=1S/C17H14F3N5O2/c18-17(19,20)8-21-15-14-11(5-6-27-14)24-16(25-15)22-10-3-1-9-2-4-13(26)23-12(9)7-10/h1,3,5-7H,2,4,8H2,(H,23,26)(H2,21,22,24,25)
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 63n/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))
BDBM50235834
PNG
(CHEMBL4088907)
Show SMILES FC(F)(F)CNc1nc(Nc2ccc3CCC(=O)Nc3c2)nc2ccoc12
Show InChI InChI=1S/C17H14F3N5O2/c18-17(19,20)8-21-15-14-11(5-6-27-14)24-16(25-15)22-10-3-1-9-2-4-13(26)23-12(9)7-10/h1,3,5-7H,2,4,8H2,(H,23,26)(H2,21,22,24,25)
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 101n/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


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