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SMILES: O=C(CCSc1ccccc1)N1CCN(CC1)C(=O)c1ccco1

InChI Key: InChIKey=UMBUOEWOJSSRAS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79651   
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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79651
PNG
(1-(2-furoyl)-4-[3-(phenylthio)propanoyl]piperazine...)
Show SMILES O=C(CCSc1ccccc1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C18H20N2O3S/c21-17(8-14-24-15-5-2-1-3-6-15)19-9-11-20(12-10-19)18(22)16-7-4-13-23-16/h1-7,13H,8-12,14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.15E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair