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SMILES: Cc1ccc2nc(SCC(=O)NCc3cccs3)c(cc2c1)C#N

InChI Key: InChIKey=ZDEDIPHZBVIJOT-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 = 43062   
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))
BDBM43062
PNG
(2-(3-Cyano-6-methyl-quinolin-2-ylsulfanyl)-N-thiop...)
Show SMILES Cc1ccc2nc(SCC(=O)NCc3cccs3)c(cc2c1)C#N
Show InChI InChI=1S/C18H15N3OS2/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h2-8H,10-11H2,1H3,(H,20,22)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.90E+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))
BDBM43062
PNG
(2-(3-Cyano-6-methyl-quinolin-2-ylsulfanyl)-N-thiop...)
Show SMILES Cc1ccc2nc(SCC(=O)NCc3cccs3)c(cc2c1)C#N
Show InChI InChI=1S/C18H15N3OS2/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h2-8H,10-11H2,1H3,(H,20,22)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.16E+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))
BDBM43062
PNG
(2-(3-Cyano-6-methyl-quinolin-2-ylsulfanyl)-N-thiop...)
Show SMILES Cc1ccc2nc(SCC(=O)NCc3cccs3)c(cc2c1)C#N
Show InChI InChI=1S/C18H15N3OS2/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h2-8H,10-11H2,1H3,(H,20,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.08E+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