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BDBM55122 2-[(2-chlorophenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]acetic acid methyl ester::MLS000026882::SMR000122831::[(2-Chloro-benzenesulfonyl)-[1,2,4]triazol-4-yl-amino]-acetic acid methyl ester::cid_778514::methyl 2-[(2-chlorophenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]acetate::methyl 2-[(2-chlorophenyl)sulfonyl-(1,2,4-triazol-4-yl)amino]ethanoate

SMILES: COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl

InChI Key: InChIKey=DGJMBXMQNXUOFE-UHFFFAOYSA-N

Data: 2 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 = 55122   
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
Procathepsin L


(Homo sapiens (Human))
BDBM55122
PNG
(2-[(2-chlorophenyl)sulfonyl-(1,2,4-triazol-4-yl)am...)
Show SMILES COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C11H11ClN4O4S/c1-20-11(17)6-16(15-7-13-14-8-15)21(18,19)10-5-3-2-4-9(10)12/h2-5,7-8H,6H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20K2704
More data for this
Ligand-Target Pair
M18 aspartyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM55122
PNG
(2-[(2-chlorophenyl)sulfonyl-(1,2,4-triazol-4-yl)am...)
Show SMILES COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C11H11ClN4O4S/c1-20-11(17)6-16(15-7-13-14-8-15)21(18,19)10-5-3-2-4-9(10)12/h2-5,7-8H,6H2,1H3
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 381n/an/an/an/an/an/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q24B2ZQ2
More data for this
Ligand-Target Pair