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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 = 'BDBM44169'   
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))
BDBM44169
PNG
((6Z)-1-amyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)...)
Show SMILES CCCCCN1C\C=C/C(N(Cc2ccc(F)cc2)C(=O)C1)c1ccc(OC)cc1 |c:7|
Show InChI InChI=1S/C25H31FN2O2/c1-3-4-5-16-27-17-6-7-24(21-10-14-23(30-2)15-11-21)28(25(29)19-27)18-20-8-12-22(26)13-9-20/h6-15,24H,3-5,16-19H2,1-2H3/b7-6-
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n/an/an/an/a 7.86E+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))
BDBM44169
PNG
((6Z)-1-amyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)...)
Show SMILES CCCCCN1C\C=C/C(N(Cc2ccc(F)cc2)C(=O)C1)c1ccc(OC)cc1 |c:7|
Show InChI InChI=1S/C25H31FN2O2/c1-3-4-5-16-27-17-6-7-24(21-10-14-23(30-2)15-11-21)28(25(29)19-27)18-20-8-12-22(26)13-9-20/h6-15,24H,3-5,16-19H2,1-2H3/b7-6-
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n/an/an/an/a 8.78E+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))
BDBM44169
PNG
((6Z)-1-amyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)...)
Show SMILES CCCCCN1C\C=C/C(N(Cc2ccc(F)cc2)C(=O)C1)c1ccc(OC)cc1 |c:7|
Show InChI InChI=1S/C25H31FN2O2/c1-3-4-5-16-27-17-6-7-24(21-10-14-23(30-2)15-11-21)28(25(29)19-27)18-20-8-12-22(26)13-9-20/h6-15,24H,3-5,16-19H2,1-2H3/b7-6-
PDB

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UniProtKB/SwissProt

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PC cid
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PCBioAssay
n/an/an/an/a 8.99E+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