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SMILES: Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1C

InChI Key: InChIKey=HRHUKLSCXXGYJL-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 3 hits for monomerid = 43942   
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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43942
PNG
(3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(...)
Show SMILES Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1C
Show InChI InChI=1S/C19H20N2O3S/c1-12-10-14(13(2)21(12)3)16(22)11-24-19(23)9-8-18-20-15-6-4-5-7-17(15)25-18/h4-7,10H,8-9,11H2,1-3H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.73E+4n/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/Q2TX3CSC
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43942
PNG
(3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(...)
Show SMILES Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1C
Show InChI InChI=1S/C19H20N2O3S/c1-12-10-14(13(2)21(12)3)16(22)11-24-19(23)9-8-18-20-15-6-4-5-7-17(15)25-18/h4-7,10H,8-9,11H2,1-3H3
PDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.94E+3n/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/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43942
PNG
(3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(...)
Show SMILES Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1C
Show InChI InChI=1S/C19H20N2O3S/c1-12-10-14(13(2)21(12)3)16(22)11-24-19(23)9-8-18-20-15-6-4-5-7-17(15)25-18/h4-7,10H,8-9,11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.60E+4n/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/Q2Q52N1X
More data for this
Ligand-Target Pair