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BDBM50466856 CHEMBL4293650

SMILES: [#6]-[#8]-c1cc(ccc1-[#8])-c1cc(=O)c2c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2o1

InChI Key: InChIKey=PPYVSZXPYMTRKN-LZYBPNLTSA-N

Data: 2 IC50

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 = 50466856   
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50466856
PNG
(CHEMBL4293650)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-c1cc(=O)c2c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2o1
Show InChI InChI=1S/C26H28O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-21(29)25-22(30)14-23(32-26(18)25)17-9-11-19(27)24(12-17)31-4/h6,8-9,11-14,27-29H,5,7,10H2,1-4H3/b16-8+
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of DYRK1B (unknown origin)


J Med Chem 61: 9791-9810 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50466856
PNG
(CHEMBL4293650)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-c1cc(=O)c2c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2o1
Show InChI InChI=1S/C26H28O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-21(29)25-22(30)14-23(32-26(18)25)17-9-11-19(27)24(12-17)31-4/h6,8-9,11-14,27-29H,5,7,10H2,1-4H3/b16-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


J Med Chem 61: 9791-9810 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q
More data for this
Ligand-Target Pair