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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 = 'BDBM39112'   
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))
BDBM39112
PNG
(2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-...)
Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1
Show InChI InChI=1S/C17H19N5O2S2/c18-8-11-10-5-3-1-2-4-6-12(10)26-16(11)21-15(24)9-25-17-20-13(19)7-14(23)22-17/h7H,1-6,9H2,(H,21,24)(H3,19,20,22,23)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.33E+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/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM39112
PNG
(2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-...)
Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1
Show InChI InChI=1S/C17H19N5O2S2/c18-8-11-10-5-3-1-2-4-6-12(10)26-16(11)21-15(24)9-25-17-20-13(19)7-14(23)22-17/h7H,1-6,9H2,(H,21,24)(H3,19,20,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 461n/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