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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 = 'BDBM43881'   
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))
BDBM43881
PNG
(MLS000687464 | N-[(3-acetylanilino)-sulfanylidenem...)
Show SMILES CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C17H16N2O2S/c1-11-6-8-13(9-7-11)16(21)19-17(22)18-15-5-3-4-14(10-15)12(2)20/h3-10H,1-2H3,(H2,18,19,21,22)
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n/an/an/an/a 1.19E+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/Q23B5XKP
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43881
PNG
(MLS000687464 | N-[(3-acetylanilino)-sulfanylidenem...)
Show SMILES CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C17H16N2O2S/c1-11-6-8-13(9-7-11)16(21)19-17(22)18-15-5-3-4-14(10-15)12(2)20/h3-10H,1-2H3,(H2,18,19,21,22)
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n/an/an/an/a 1.86E+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/Q2PN942B
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43881
PNG
(MLS000687464 | N-[(3-acetylanilino)-sulfanylidenem...)
Show SMILES CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C17H16N2O2S/c1-11-6-8-13(9-7-11)16(21)19-17(22)18-15-5-3-4-14(10-15)12(2)20/h3-10H,1-2H3,(H2,18,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.22E+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/Q2QV3JZ2
More data for this
Ligand-Target Pair