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SMILES: CCC(=O)NCCSc1c[nH]c2ccccc12

InChI Key: InChIKey=YTBRZKAOHUJNPO-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 2 hits for monomerid = 43568   
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
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43568
PNG
(MLS000090510 | N-[2-(1H-indol-3-ylsulfanyl)ethyl]p...)
Show SMILES CCC(=O)NCCSc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2OS/c1-2-13(16)14-7-8-17-12-9-15-11-6-4-3-5-10(11)12/h3-6,9,15H,2,7-8H2,1H3,(H,14,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.57E+4n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43568
PNG
(MLS000090510 | N-[2-(1H-indol-3-ylsulfanyl)ethyl]p...)
Show SMILES CCC(=O)NCCSc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2OS/c1-2-13(16)14-7-8-17-12-9-15-11-6-4-3-5-10(11)12/h3-6,9,15H,2,7-8H2,1H3,(H,14,16)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.70E+4n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair