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SMILES: S(c1nnc([nH]1)-c1ccccc1)c1ncnc2n(ncc12)-c1ccccc1

InChI Key: InChIKey=SWIWCZQXJGIMDM-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 4 hits for monomerid = 43946   
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))
BDBM43946
PNG
(1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfan...)
Show SMILES S(c1nnc([nH]1)-c1ccccc1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C19H13N7S/c1-3-7-13(8-4-1)16-23-19(25-24-16)27-18-15-11-22-26(17(15)20-12-21-18)14-9-5-2-6-10-14/h1-12H,(H,23,24,25)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.95E+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
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM43946
PNG
(1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfan...)
Show SMILES S(c1nnc([nH]1)-c1ccccc1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C19H13N7S/c1-3-7-13(8-4-1)16-23-19(25-24-16)27-18-15-11-22-26(17(15)20-12-21-18)14-9-5-2-6-10-14/h1-12H,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.48E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43946
PNG
(1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfan...)
Show SMILES S(c1nnc([nH]1)-c1ccccc1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C19H13N7S/c1-3-7-13(8-4-1)16-23-19(25-24-16)27-18-15-11-22-26(17(15)20-12-21-18)14-9-5-2-6-10-14/h1-12H,(H,23,24,25)
PDB

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UniChem
PCBioAssay
n/an/an/an/a 6.74E+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))
BDBM43946
PNG
(1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfan...)
Show SMILES S(c1nnc([nH]1)-c1ccccc1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C19H13N7S/c1-3-7-13(8-4-1)16-23-19(25-24-16)27-18-15-11-22-26(17(15)20-12-21-18)14-9-5-2-6-10-14/h1-12H,(H,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.23E+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