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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 12 member 5' and Ligand = 'BDBM43967'   
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))
BDBM43967
PNG
(4-chloranyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)qui...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H21ClN6O2S/c24-17-8-10-18(11-9-17)33(31,32)28-22-23(27-20-6-2-1-5-19(20)26-22)30-15-13-29(14-16-30)21-7-3-4-12-25-21/h1-12H,13-16H2,(H,26,28)
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n/an/an/an/a 9.37E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43967
PNG
(4-chloranyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)qui...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H21ClN6O2S/c24-17-8-10-18(11-9-17)33(31,32)28-22-23(27-20-6-2-1-5-19(20)26-22)30-15-13-29(14-16-30)21-7-3-4-12-25-21/h1-12H,13-16H2,(H,26,28)
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PCBioAssay
n/an/an/an/a 1.49E+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/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43967
PNG
(4-chloranyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)qui...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H21ClN6O2S/c24-17-8-10-18(11-9-17)33(31,32)28-22-23(27-20-6-2-1-5-19(20)26-22)30-15-13-29(14-16-30)21-7-3-4-12-25-21/h1-12H,13-16H2,(H,26,28)
PDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 6.80E+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/Q2TX3CSC
More data for this
Ligand-Target Pair