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BDBM50277922 CHEMBL1235568

SMILES: CS(=O)(=O)Nc1cccc2cccnc12

InChI Key: InChIKey=XYEPUTZVZYUENX-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 50277922   
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
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50277922
PNG
(CHEMBL1235568)
Show SMILES CS(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C10H10N2O2S/c1-15(13,14)12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7,12H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
PDB
UniChem

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Similars

Article
PubMed
n/an/a 1.85E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...


J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50277922
PNG
(CHEMBL1235568)
Show SMILES CS(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C10H10N2O2S/c1-15(13,14)12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7,12H,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.86E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Antagonistic activity by inhibition histamine H2 receptor from rats.


Eur J Med Chem 139: 849-864 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.052
BindingDB Entry DOI: 10.7270/Q20P12HF
More data for this
Ligand-Target Pair