BDBM50351172 CHEMBL78771

SMILES: O[Hg]c1ccc(cc1)C(O)=O

InChI Key: InChIKey=WMHRYLDWLOGHSG-UHFFFAOYSA-M

Data: 3 IC50

PDB links: 21 PDB IDs match this monomer.

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 3 hits for monomerid = 50351172   

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
Sortase A (SrtA) (Staphylococcus aureus)	BDBM50351172 (CHEMBL78771) Show SMILES O[Hg]c1ccc(cc1)C(O)=O Show InChI InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant Staphylococcus aureus ATCC 6538p sortase lacking the N-terminal membrane anchor domain expressed in Escherichia coli cells ...				J Nat Prod 74: 1805-11 (2011) Article DOI: 10.1021/np200492k BindingDB Entry DOI: 10.7270/Q2C53M7G
					More data for this Ligand-Target Pair
Sortase A (SrtA) (Staphylococcus aureus)	BDBM50351172 (CHEMBL78771) Show SMILES O[Hg]c1ccc(cc1)C(O)=O Show InChI InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus ATCC 6538p SortA expressed in Escherichia coli using Dabcyl-QALPETGEE-Edans as substrate after 1 hr by fluorescen...				J Nat Prod 80: 1575-1583 (2017) BindingDB Entry DOI: 10.7270/Q2N87D8G
					More data for this Ligand-Target Pair
Sortase A (SrtA) (Staphylococcus aureus)	BDBM50351172 (CHEMBL78771) Show SMILES O[Hg]c1ccc(cc1)C(O)=O Show InChI InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus ATCC 6538p recombinant SrtA				Bioorg Med Chem 20: 4082-7 (2012) Article DOI: 10.1016/j.bmc.2012.05.002 BindingDB Entry DOI: 10.7270/Q29S1S3K
					More data for this Ligand-Target Pair