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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 = 'BDBM43901'   
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))
BDBM43901
PNG
(2-[(4-fluorobenzyl)thio]-N-[2-(2-fluorophenoxy)eth...)
Show SMILES Fc1ccc(CSc2ccccc2C(=O)NCCOc2ccccc2F)cc1
Show InChI InChI=1S/C22H19F2NO2S/c23-17-11-9-16(10-12-17)15-28-21-8-4-1-5-18(21)22(26)25-13-14-27-20-7-3-2-6-19(20)24/h1-12H,13-15H2,(H,25,26)
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n/an/a 2.20E+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))
BDBM43901
PNG
(2-[(4-fluorobenzyl)thio]-N-[2-(2-fluorophenoxy)eth...)
Show SMILES Fc1ccc(CSc2ccccc2C(=O)NCCOc2ccccc2F)cc1
Show InChI InChI=1S/C22H19F2NO2S/c23-17-11-9-16(10-12-17)15-28-21-8-4-1-5-18(21)22(26)25-13-14-27-20-7-3-2-6-19(20)24/h1-12H,13-15H2,(H,25,26)
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n/an/an/an/a 717n/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))
BDBM43901
PNG
(2-[(4-fluorobenzyl)thio]-N-[2-(2-fluorophenoxy)eth...)
Show SMILES Fc1ccc(CSc2ccccc2C(=O)NCCOc2ccccc2F)cc1
Show InChI InChI=1S/C22H19F2NO2S/c23-17-11-9-16(10-12-17)15-28-21-8-4-1-5-18(21)22(26)25-13-14-27-20-7-3-2-6-19(20)24/h1-12H,13-15H2,(H,25,26)
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n/an/an/an/a 684n/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))
BDBM43901
PNG
(2-[(4-fluorobenzyl)thio]-N-[2-(2-fluorophenoxy)eth...)
Show SMILES Fc1ccc(CSc2ccccc2C(=O)NCCOc2ccccc2F)cc1
Show InChI InChI=1S/C22H19F2NO2S/c23-17-11-9-16(10-12-17)15-28-21-8-4-1-5-18(21)22(26)25-13-14-27-20-7-3-2-6-19(20)24/h1-12H,13-15H2,(H,25,26)
PDB

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n/an/an/an/a 313n/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