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SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCc2ccccc2C1

InChI Key: InChIKey=NIXLYRCYMPXIJC-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 2 hits for monomerid = 44186   
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))
BDBM44186
PNG
(3,4-dihydro-1H-isoquinolin-2-yl-(1-thiophen-2-ylsu...)
Show SMILES O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H22N2O3S2/c22-19(20-10-7-15-4-1-2-5-17(15)14-20)16-8-11-21(12-9-16)26(23,24)18-6-3-13-25-18/h1-6,13,16H,7-12,14H2
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.65E+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))
BDBM44186
PNG
(3,4-dihydro-1H-isoquinolin-2-yl-(1-thiophen-2-ylsu...)
Show SMILES O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H22N2O3S2/c22-19(20-10-7-15-4-1-2-5-17(15)14-20)16-8-11-21(12-9-16)26(23,24)18-6-3-13-25-18/h1-6,13,16H,7-12,14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.18E+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/Q2Q52N1X
More data for this
Ligand-Target Pair