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BDBM38921 MLS000056851::N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide::N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-pyridinecarboxamide::N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]picolinamide::SMR000067448::cid_2121806

SMILES: CCSc1nnc(NC(=O)c2ccccn2)s1

InChI Key: InChIKey=UMDFROBIOXQDLW-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 38921   
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
Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM38921
PNG
(MLS000056851 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2ccccn2)s1
Show InChI InChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H,12,13,15)
PDB
MMDB

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PCBioAssay
n/an/a>1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM38921
PNG
(MLS000056851 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2ccccn2)s1
Show InChI InChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H,12,13,15)
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n/an/a>3.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM38921
PNG
(MLS000056851 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2ccccn2)s1
Show InChI InChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H,12,13,15)
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n/an/a 1.68E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM38921
PNG
(MLS000056851 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2ccccn2)s1
Show InChI InChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H,12,13,15)
PDB

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n/an/an/an/a 3.03E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM38921
PNG
(MLS000056851 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2ccccn2)s1
Show InChI InChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H,12,13,15)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM38921
PNG
(MLS000056851 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2ccccn2)s1
Show InChI InChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H,12,13,15)
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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