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BDBM50235824 CHEMBL4082961

SMILES: CC(C)CNc1nc(Nc2ccc3c(NC(=O)COC3(C)C)c2)nc2ccoc12

InChI Key: InChIKey=IEWYJUQFMYFNQJ-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 = 50235824   
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))
BDBM50235824
PNG
(CHEMBL4082961)
Show SMILES CC(C)CNc1nc(Nc2ccc3c(NC(=O)COC3(C)C)c2)nc2ccoc12
Show InChI InChI=1S/C21H25N5O3/c1-12(2)10-22-19-18-15(7-8-28-18)25-20(26-19)23-13-5-6-14-16(9-13)24-17(27)11-29-21(14,3)4/h5-9,12H,10-11H2,1-4H3,(H,24,27)(H2,22,23,25,26)
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 43n/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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50235824
PNG
(CHEMBL4082961)
Show SMILES CC(C)CNc1nc(Nc2ccc3c(NC(=O)COC3(C)C)c2)nc2ccoc12
Show InChI InChI=1S/C21H25N5O3/c1-12(2)10-22-19-18-15(7-8-28-18)25-20(26-19)23-13-5-6-14-16(9-13)24-17(27)11-29-21(14,3)4/h5-9,12H,10-11H2,1-4H3,(H,24,27)(H2,22,23,25,26)
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 64n/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