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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 = 'BDBM43890'   
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))
BDBM43890
PNG
((4-benzylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,...)
Show SMILES CC(C)c1onc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[N+]([O-])=O
Show InChI InChI=1S/C18H22N4O4/c1-13(2)17-16(22(24)25)15(19-26-17)18(23)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
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n/an/a 1.50E+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))
BDBM43890
PNG
((4-benzylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,...)
Show SMILES CC(C)c1onc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[N+]([O-])=O
Show InChI InChI=1S/C18H22N4O4/c1-13(2)17-16(22(24)25)15(19-26-17)18(23)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
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n/an/an/an/a 392n/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))
BDBM43890
PNG
((4-benzylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,...)
Show SMILES CC(C)c1onc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[N+]([O-])=O
Show InChI InChI=1S/C18H22N4O4/c1-13(2)17-16(22(24)25)15(19-26-17)18(23)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
PDB

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n/an/an/an/a 340n/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))
BDBM43890
PNG
((4-benzylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,...)
Show SMILES CC(C)c1onc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[N+]([O-])=O
Show InChI InChI=1S/C18H22N4O4/c1-13(2)17-16(22(24)25)15(19-26-17)18(23)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
PDB

Reactome pathway
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 387n/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