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BDBM43895 6-(4-ethoxyphenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b][1,3]thiazole-2,5,7-trione::6-(4-ethoxyphenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b]thiazole-2,5,7-trione::6-p-phenetyl-8-[(E)-styryl]-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b]thiazole-2,5,7-trione::VU0261239-2-D8::cid_5293297

SMILES: CCOc1ccc(cc1)-n1c(O)c2Sc3[nH]c(=O)sc3C(C=Cc3ccccc3)c2c1O

InChI Key: InChIKey=YJMBQYLDFRZURU-UHFFFAOYSA-N

Data: 2 IC50

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 = 43895   
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
NS3


(Hepatitis C virus)
BDBM43895
PNG
(6-(4-ethoxyphenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a...)
Show SMILES CCOc1ccc(cc1)-n1c(O)c2Sc3[nH]c(=O)sc3C(C=Cc3ccccc3)c2c1O |w:21.22|
Show InChI InChI=1S/C24H20N2O4S2/c1-2-30-16-11-9-15(10-12-16)26-22(27)18-17(13-8-14-6-4-3-5-7-14)19-21(25-24(29)32-19)31-20(18)23(26)28/h3-13,17,27-28H,2H2,1H3,(H,25,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.54E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43895
PNG
(6-(4-ethoxyphenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a...)
Show SMILES CCOc1ccc(cc1)-n1c(O)c2Sc3[nH]c(=O)sc3C(C=Cc3ccccc3)c2c1O |w:21.22|
Show InChI InChI=1S/C24H20N2O4S2/c1-2-30-16-11-9-15(10-12-16)26-22(27)18-17(13-8-14-6-4-3-5-7-14)19-21(25-24(29)32-19)31-20(18)23(26)28/h3-13,17,27-28H,2H2,1H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 300n/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
More data for this
Ligand-Target Pair