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BDBM55157 4-(diethylsulfamoyl)-N-(1,2,4-triazol-4-yl)benzamide::MLS001173052::SMR000589279::cid_2378520

SMILES: CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nn1cnnc1

InChI Key: InChIKey=IKYWUTJRKGRIRN-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 = 55157   
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))
BDBM55157
PNG
(4-(diethylsulfamoyl)-N-(1,2,4-triazol-4-yl)benzami...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nn1cnnc1
Show InChI InChI=1S/C13H17N5O3S/c1-3-18(4-2)22(20,21)12-7-5-11(6-8-12)13(19)16-17-9-14-15-10-17/h5-10H,3-4H2,1-2H3,(H,16,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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)
BDBM55157
PNG
(4-(diethylsulfamoyl)-N-(1,2,4-triazol-4-yl)benzami...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nn1cnnc1
Show InChI InChI=1S/C13H17N5O3S/c1-3-18(4-2)22(20,21)12-7-5-11(6-8-12)13(19)16-17-9-14-15-10-17/h5-10H,3-4H2,1-2H3,(H,16,19)
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.07E+3n/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