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BDBM32051 3-chloro-N-(1,1-diketothiolan-3-yl)-N-(2-furfuryl)benzothiophene-2-carboxamide::3-chloro-N-(1,1-dioxo-3-thiolanyl)-N-(2-furanylmethyl)-1-benzothiophene-2-carboxamide::3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide::MLS000041094::N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-chloranyl-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide::SMR000044688::cid_663898

SMILES: Clc1c(sc2ccccc12)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1

InChI Key: InChIKey=RMFYTABJIVXKKF-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 32051   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM32051
PNG
(3-chloro-N-(1,1-diketothiolan-3-yl)-N-(2-furfuryl)...)
Show SMILES Clc1c(sc2ccccc12)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
Show InChI InChI=1S/C18H16ClNO4S2/c19-16-14-5-1-2-6-15(14)25-17(16)18(21)20(10-13-4-3-8-24-13)12-7-9-26(22,23)11-12/h1-6,8,12H,7,9-11H2
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.92E+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/Q22V2DN3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM32051
PNG
(3-chloro-N-(1,1-diketothiolan-3-yl)-N-(2-furfuryl)...)
Show SMILES Clc1c(sc2ccccc12)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
Show InChI InChI=1S/C18H16ClNO4S2/c19-16-14-5-1-2-6-15(14)25-17(16)18(21)20(10-13-4-3-8-24-13)12-7-9-26(22,23)11-12/h1-6,8,12H,7,9-11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair