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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 12 member 5' and Ligand = 'BDBM44190'   
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))
BDBM44190
PNG
(4-chloranyl-N-[1-(4-fluorophenyl)-3,5-dimethyl-pyr...)
Show SMILES Cc1nn(c(C)c1NS(=O)(=O)c1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15ClFN3O2S/c1-11-17(21-25(23,24)16-9-3-13(18)4-10-16)12(2)22(20-11)15-7-5-14(19)6-8-15/h3-10,21H,1-2H3
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.29E+6n/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))
BDBM44190
PNG
(4-chloranyl-N-[1-(4-fluorophenyl)-3,5-dimethyl-pyr...)
Show SMILES Cc1nn(c(C)c1NS(=O)(=O)c1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15ClFN3O2S/c1-11-17(21-25(23,24)16-9-3-13(18)4-10-16)12(2)22(20-11)15-7-5-14(19)6-8-15/h3-10,21H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.12E+5n/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