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SMILES: [O-][N+](=O)c1ccc(NC(=O)CSc2nnc[nH]2)c(Br)c1

InChI Key: InChIKey=HVAOMNRYEFQOLI-UHFFFAOYSA-N

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 = 55133   
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
M18 aspartyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM55133
PNG
(MLS000391635 | N-(2-bromanyl-4-nitro-phenyl)-2-(1H...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CSc2nnc[nH]2)c(Br)c1
Show InChI InChI=1S/C10H8BrN5O3S/c11-7-3-6(16(18)19)1-2-8(7)14-9(17)4-20-10-12-5-13-15-10/h1-3,5H,4H2,(H,14,17)(H,12,13,15)
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 975n/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
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM55133
PNG
(MLS000391635 | N-(2-bromanyl-4-nitro-phenyl)-2-(1H...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CSc2nnc[nH]2)c(Br)c1
Show InChI InChI=1S/C10H8BrN5O3S/c11-7-3-6(16(18)19)1-2-8(7)14-9(17)4-20-10-12-5-13-15-10/h1-3,5H,4H2,(H,14,17)(H,12,13,15)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem

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PCBioAssay
n/an/a 1.99E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM55133
PNG
(MLS000391635 | N-(2-bromanyl-4-nitro-phenyl)-2-(1H...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)CSc2nnc[nH]2)c(Br)c1
Show InChI InChI=1S/C10H8BrN5O3S/c11-7-3-6(16(18)19)1-2-8(7)14-9(17)4-20-10-12-5-13-15-10/h1-3,5H,4H2,(H,14,17)(H,12,13,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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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