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SMILES: Cn1nccc1C(=O)OCC(=O)Nc1nc(cs1)-c1ccccc1

InChI Key: InChIKey=QELKSVUXGPTZGH-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 43922   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM43922
PNG
(2-Methyl-2H-pyrazole-3-carboxylic acid (4-phenyl-t...)
Show SMILES Cn1nccc1C(=O)OCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H14N4O3S/c1-20-13(7-8-17-20)15(22)23-9-14(21)19-16-18-12(10-24-16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19,21)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.07E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43922
PNG
(2-Methyl-2H-pyrazole-3-carboxylic acid (4-phenyl-t...)
Show SMILES Cn1nccc1C(=O)OCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H14N4O3S/c1-20-13(7-8-17-20)15(22)23-9-14(21)19-16-18-12(10-24-16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19,21)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.08E+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/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43922
PNG
(2-Methyl-2H-pyrazole-3-carboxylic acid (4-phenyl-t...)
Show SMILES Cn1nccc1C(=O)OCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H14N4O3S/c1-20-13(7-8-17-20)15(22)23-9-14(21)19-16-18-12(10-24-16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.09E+4n/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