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SMILES: CCOc1cccc(c1)C(=O)Nc1nnc(s1)-c1cccs1

InChI Key: InChIKey=KHEMGEZOIRUKFO-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 = 43022   
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 coactivator 1


(Homo sapiens (Human))
BDBM43022
PNG
(3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CCOc1cccc(c1)C(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C15H13N3O2S2/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19)
PDB
MMDB

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PCBioAssay
n/an/an/an/a 2.41E+4n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))
BDBM43022
PNG
(3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CCOc1cccc(c1)C(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C15H13N3O2S2/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19)
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n/an/an/an/a 2.22E+4n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM43022
PNG
(3-ethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CCOc1cccc(c1)C(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C15H13N3O2S2/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a 3.03E+4n/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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair