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SMILES: O=C(CSC1=NNC(S1)c1ccccn1)Nc1ccccc1

InChI Key: InChIKey=QQXUHMOOSXZQGF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 60273   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60273
PNG
(MLS000861866 | N-phenyl-2-[(2-pyridin-2-yl-2,3-dih...)
Show SMILES O=C(CSC1=NNC(S1)c1ccccn1)Nc1ccccc1 |t:4|
Show InChI InChI=1S/C15H14N4OS2/c20-13(17-11-6-2-1-3-7-11)10-21-15-19-18-14(22-15)12-8-4-5-9-16-12/h1-9,14,18H,10H2,(H,17,20)
PDB

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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
RecBCD enzyme subunit RecD


(Escherichia coli str. K-12 substr. MG1655)
BDBM60273
PNG
(MLS000861866 | N-phenyl-2-[(2-pyridin-2-yl-2,3-dih...)
Show SMILES O=C(CSC1=NNC(S1)c1ccccn1)Nc1ccccc1 |t:4|
Show InChI InChI=1S/C15H14N4OS2/c20-13(17-11-6-2-1-3-7-11)10-21-15-19-18-14(22-15)12-8-4-5-9-16-12/h1-9,14,18H,10H2,(H,17,20)
PDB
MMDB

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n/an/a>1.18E+5n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM60273
PNG
(MLS000861866 | N-phenyl-2-[(2-pyridin-2-yl-2,3-dih...)
Show SMILES O=C(CSC1=NNC(S1)c1ccccn1)Nc1ccccc1 |t:4|
Show InChI InChI=1S/C15H14N4OS2/c20-13(17-11-6-2-1-3-7-11)10-21-15-19-18-14(22-15)12-8-4-5-9-16-12/h1-9,14,18H,10H2,(H,17,20)
PDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a 3.04E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair