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SMILES: O=S(=O)(Nc1cccc2nsnc12)c1ccccc1

InChI Key: InChIKey=LJKBZEILYCVLOT-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 = 32687   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM32687
PNG
(MLS000124083 | N-(2,1,3-benzothiadiazol-4-yl)benze...)
Show SMILES O=S(=O)(Nc1cccc2nsnc12)c1ccccc1
Show InChI InChI=1S/C12H9N3O2S2/c16-19(17,9-5-2-1-3-6-9)15-11-8-4-7-10-12(11)14-18-13-10/h1-8,15H
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.30E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2N29V8J
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM32687
PNG
(MLS000124083 | N-(2,1,3-benzothiadiazol-4-yl)benze...)
Show SMILES O=S(=O)(Nc1cccc2nsnc12)c1ccccc1
Show InChI InChI=1S/C12H9N3O2S2/c16-19(17,9-5-2-1-3-6-9)15-11-8-4-7-10-12(11)14-18-13-10/h1-8,15H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.55E+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
Coagulation factor XI


(Homo sapiens (Human))
BDBM32687
PNG
(MLS000124083 | N-(2,1,3-benzothiadiazol-4-yl)benze...)
Show SMILES O=S(=O)(Nc1cccc2nsnc12)c1ccccc1
Show InChI InChI=1S/C12H9N3O2S2/c16-19(17,9-5-2-1-3-6-9)15-11-8-4-7-10-12(11)14-18-13-10/h1-8,15H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.30E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W957K6
More data for this
Ligand-Target Pair