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BDBM50197300 CHEMBL3912164::ebselen derivative 2e

SMILES: COc1ccccc1NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1OC

InChI Key: InChIKey=WNFPBFJRJMQTGX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50197300   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50197300
PNG
(CHEMBL3912164 | ebselen derivative 2e)
Show SMILES COc1ccccc1NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C28H24N2O4Se2/c1-33-23-15-7-5-13-21(23)29-27(31)19-11-3-9-17-25(19)35-36-26-18-10-4-12-20(26)28(32)30-22-14-6-8-16-24(22)34-2/h3-18H,1-2H3,(H,29,31)(H,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 263n/an/an/an/an/an/a



University ofAmsterdam



Assay Description
The inhibitor was screened against recombinant PL​pro​SARS and PL​pro​CoV2 at 37°Cin the assay buffer as described above. For...


bioRxiv 1-12 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9FGT
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50197300
PNG
(CHEMBL3912164 | ebselen derivative 2e)
Show SMILES COc1ccccc1NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C28H24N2O4Se2/c1-33-23-15-7-5-13-21(23)29-27(31)19-11-3-9-17-25(19)35-36-26-18-10-4-12-20(26)28(32)30-22-14-6-8-16-24(22)34-2/h3-18H,1-2H3,(H,29,31)(H,30,32)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.79E+3n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as substrate preincubated for 30 mins followed by substrate addition by ...


Bioorg Med Chem Lett 26: 5254-5259 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.050
BindingDB Entry DOI: 10.7270/Q28917T7
More data for this
Ligand-Target Pair