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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 = 'BDBM43905'   
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))
BDBM43905
PNG
(2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]-N-(...)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C22H22ClN3O3S/c1-26(16-17-7-3-2-4-8-17)30(28,29)19-10-11-21(23)20(15-19)22(27)25-14-12-18-9-5-6-13-24-18/h2-11,13,15H,12,14,16H2,1H3,(H,25,27)
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n/an/a 2.50E+3n/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))
BDBM43905
PNG
(2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]-N-(...)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C22H22ClN3O3S/c1-26(16-17-7-3-2-4-8-17)30(28,29)19-10-11-21(23)20(15-19)22(27)25-14-12-18-9-5-6-13-24-18/h2-11,13,15H,12,14,16H2,1H3,(H,25,27)
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n/an/an/an/a 384n/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))
BDBM43905
PNG
(2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]-N-(...)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C22H22ClN3O3S/c1-26(16-17-7-3-2-4-8-17)30(28,29)19-10-11-21(23)20(15-19)22(27)25-14-12-18-9-5-6-13-24-18/h2-11,13,15H,12,14,16H2,1H3,(H,25,27)
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PC cid
PC sid
UniChem
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n/an/an/an/a 377n/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))
BDBM43905
PNG
(2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]-N-(...)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C22H22ClN3O3S/c1-26(16-17-7-3-2-4-8-17)30(28,29)19-10-11-21(23)20(15-19)22(27)25-14-12-18-9-5-6-13-24-18/h2-11,13,15H,12,14,16H2,1H3,(H,25,27)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 373n/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