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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 12 member 5' and Ligand = 'BDBM43907'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM43907
PNG
(3-chloro-1-benzothiophene-2-carboxylic acid [2-[4-...)
Show SMILES Clc1c(sc2ccccc12)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H17ClN2O5S/c21-17-13-4-1-2-6-15(13)29-18(17)20(26)28-12-16(24)22-7-9-23(10-8-22)19(25)14-5-3-11-27-14/h1-6,11H,7-10,12H2
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n/an/a 2.40E+4n/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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43907
PNG
(3-chloro-1-benzothiophene-2-carboxylic acid [2-[4-...)
Show SMILES Clc1c(sc2ccccc12)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H17ClN2O5S/c21-17-13-4-1-2-6-15(13)29-18(17)20(26)28-12-16(24)22-7-9-23(10-8-22)19(25)14-5-3-11-27-14/h1-6,11H,7-10,12H2
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n/an/an/an/a 599n/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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43907
PNG
(3-chloro-1-benzothiophene-2-carboxylic acid [2-[4-...)
Show SMILES Clc1c(sc2ccccc12)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H17ClN2O5S/c21-17-13-4-1-2-6-15(13)29-18(17)20(26)28-12-16(24)22-7-9-23(10-8-22)19(25)14-5-3-11-27-14/h1-6,11H,7-10,12H2
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n/an/an/an/a 1.60E+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))
BDBM43907
PNG
(3-chloro-1-benzothiophene-2-carboxylic acid [2-[4-...)
Show SMILES Clc1c(sc2ccccc12)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H17ClN2O5S/c21-17-13-4-1-2-6-15(13)29-18(17)20(26)28-12-16(24)22-7-9-23(10-8-22)19(25)14-5-3-11-27-14/h1-6,11H,7-10,12H2
PDB

Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 478n/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