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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 = 'BDBM43932'   
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))
BDBM43932
PNG
(3-(4-aminophenyl)-7-(diethylamino)-4-methyl-1-benz...)
Show SMILES CCN(CC)c1ccc2c(C)c(-c3ccc(N)cc3)c(=O)oc2c1
Show InChI InChI=1S/C20H22N2O2/c1-4-22(5-2)16-10-11-17-13(3)19(20(23)24-18(17)12-16)14-6-8-15(21)9-7-14/h6-12H,4-5,21H2,1-3H3
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n/an/an/an/a 986n/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))
BDBM43932
PNG
(3-(4-aminophenyl)-7-(diethylamino)-4-methyl-1-benz...)
Show SMILES CCN(CC)c1ccc2c(C)c(-c3ccc(N)cc3)c(=O)oc2c1
Show InChI InChI=1S/C20H22N2O2/c1-4-22(5-2)16-10-11-17-13(3)19(20(23)24-18(17)12-16)14-6-8-15(21)9-7-14/h6-12H,4-5,21H2,1-3H3
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n/an/an/an/a 1.15E+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))
BDBM43932
PNG
(3-(4-aminophenyl)-7-(diethylamino)-4-methyl-1-benz...)
Show SMILES CCN(CC)c1ccc2c(C)c(-c3ccc(N)cc3)c(=O)oc2c1
Show InChI InChI=1S/C20H22N2O2/c1-4-22(5-2)16-10-11-17-13(3)19(20(23)24-18(17)12-16)14-6-8-15(21)9-7-14/h6-12H,4-5,21H2,1-3H3
PDB

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KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.08E+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