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BDBM43495 5-(benzylthio)-2-(2-pyridyl)-2,3-dihydro-1,3,4-thiadiazole::5-(phenylmethylsulfanyl)-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole::5-(phenylmethylthio)-2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazole::5-benzylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole::MLS000861741::SMR000460525::cid_2746653

SMILES: C(SC1=NNC(S1)c1ccccn1)c1ccccc1

InChI Key: InChIKey=IQZPEFTWPLGMGB-UHFFFAOYNA-N

Data: 1 IC50  2 EC50

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 = 43495   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43495
PNG
(5-(benzylthio)-2-(2-pyridyl)-2,3-dihydro-1,3,4-thi...)
Show SMILES C(SC1=NNC(S1)c1ccccn1)c1ccccc1
Show InChI InChI=1/C14H13N3S2/c1-2-6-11(7-3-1)10-18-14-17-16-13(19-14)12-8-4-5-9-15-12/h1-9,13,16H,10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.24E+4n/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: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM43495
PNG
(5-(benzylthio)-2-(2-pyridyl)-2,3-dihydro-1,3,4-thi...)
Show SMILES C(SC1=NNC(S1)c1ccccn1)c1ccccc1
Show InChI InChI=1/C14H13N3S2/c1-2-6-11(7-3-1)10-18-14-17-16-13(19-14)12-8-4-5-9-15-12/h1-9,13,16H,10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.15E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM43495
PNG
(5-(benzylthio)-2-(2-pyridyl)-2,3-dihydro-1,3,4-thi...)
Show SMILES C(SC1=NNC(S1)c1ccccn1)c1ccccc1
Show InChI InChI=1/C14H13N3S2/c1-2-6-11(7-3-1)10-18-14-17-16-13(19-14)12-8-4-5-9-15-12/h1-9,13,16H,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair