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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 = 'BDBM44128'   
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))
BDBM44128
PNG
(1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...)
Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2
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PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.61E+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))
BDBM44128
PNG
(1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...)
Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2
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PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.55E+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))
BDBM44128
PNG
(1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...)
Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.85E+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