BDBM60990 MLS001336050::SMR000875330::Thime-rosal::Thimerosal::cid_16684434::jm5b01461, Compound 169::sodium;(2-carboxylatophenyl)sulfanyl-ethyl-mercury::sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury::sodium;[(2-carboxylatophenyl)thio]-ethyl-mercury::sodium;[(2-carboxylatophenyl)thio]-ethylmercury

SMILES: CC[Hg]Sc1ccccc1C([O-])=O

InChI Key: InChIKey=HXQVQGWHFRNKMS-UHFFFAOYSA-L

Data: 2 KI  5 IC50  1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 60990   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Replicase polyprotein 1ab (2019-nCoV)	BDBM60990 (MLS001336050 | SMR000875330 | Thime-rosal | Thimer...) Show SMILES CC[Hg]Sc1ccccc1C([O-])=O Show InChI InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar	Purchase CHEBI PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University					Assay Description This is a review article. Please point to the original journal.				J Med Chem 64: 16922-16955 (2021)
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM60990 (MLS001336050 | SMR000875330 | Thime-rosal | Thimer...) Show SMILES CC[Hg]Sc1ccccc1C([O-])=O Show InChI InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar	Purchase CHEBI PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM60990 (MLS001336050 | SMR000875330 | Thime-rosal | Thimer...) Show SMILES CC[Hg]Sc1ccccc1C([O-])=O Show InChI InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-2	PDB MMDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2G15ZB8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM60990 (MLS001336050 | SMR000875330 | Thime-rosal | Thimer...) Show SMILES CC[Hg]Sc1ccccc1C([O-])=O Show InChI InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-2	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2T15278
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM60990 (MLS001336050 | SMR000875330 | Thime-rosal | Thimer...) Show SMILES CC[Hg]Sc1ccccc1C([O-])=O Show InChI InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar	Purchase CHEBI PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University					Assay Description This is a review article. Please point to the original journal.				J Med Chem 64: 16922-16955 (2021)
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM60990 (MLS001336050 | SMR000875330 | Thime-rosal | Thimer...) Show SMILES CC[Hg]Sc1ccccc1C([O-])=O Show InChI InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-2	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KS6Q2P
					More data for this Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human))	BDBM60990 (MLS001336050 | SMR000875330 | Thime-rosal | Thimer...) Show SMILES CC[Hg]Sc1ccccc1C([O-])=O Show InChI InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22N50RJ
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM60990 (MLS001336050 | SMR000875330 | Thime-rosal | Thimer...) Show SMILES CC[Hg]Sc1ccccc1C([O-])=O Show InChI InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-2	PDB MMDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2XS5T0R
					More data for this Ligand-Target Pair