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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)
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
Sortase A (SrtA)


(Staphylococcus aureus)
BDBM50351172
PNG
(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/an/a 1.16E+5n/an/an/an/an/an/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
PNG
(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/an/a 2.50E+4n/an/an/an/an/an/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
PNG
(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/an/a 1.12E+5n/an/an/an/an/an/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