BDBM50534770 CHEMBL4552531

SMILES: [#8]-[#6](=O)-[#6]-[#6]-n1[se;v2]c2ccccc2c1=O

InChI Key: InChIKey=FSGQFSVVMZXOLX-UHFFFAOYSA-N

Data: 1 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 = 50534770   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Replicase polyprotein 1ab (2019-nCoV)	BDBM50534770 (CHEMBL4552531 | acs.jmedchem.1c00409_ST.158) Show SMILES [#8]-[#6](=O)-[#6]-[#6]-n1[se;v2]c2ccccc2c1=O Show InChI InChI=1S/C10H9NO3Se/c12-9(13)5-6-11-10(14)7-3-1-2-4-8(7)15-11/h1-4H,5-6H2,(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50534770 (CHEMBL4552531 | acs.jmedchem.1c00409_ST.158) Show SMILES [#8]-[#6](=O)-[#6]-[#6]-n1[se;v2]c2ccccc2c1=O Show InChI InChI=1S/C10H9NO3Se/c12-9(13)5-6-11-10(14)7-3-1-2-4-8(7)15-11/h1-4H,5-6H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wroc?aw University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell u...				J Med Chem 59: 8125-33 (2016) Article DOI: 10.1021/acs.jmedchem.6b00986
					More data for this Ligand-Target Pair