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SMILES: Cc1nc2cc(ccc2n1C1CCN(Cc2nnnn2Cc2ccc3OCOc3c2)CC1)C(F)(F)F

InChI Key: InChIKey=HRVJDGBVFQGLAE-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 = 44178   
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))
BDBM44178
PNG
(1-[1-(1-Benzo[1,3]dioxol-5-ylmethyl-1H-tetrazol-5-...)
Show SMILES Cc1nc2cc(ccc2n1C1CCN(Cc2nnnn2Cc2ccc3OCOc3c2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N7O2/c1-15-28-19-11-17(24(25,26)27)3-4-20(19)34(15)18-6-8-32(9-7-18)13-23-29-30-31-33(23)12-16-2-5-21-22(10-16)36-14-35-21/h2-5,10-11,18H,6-9,12-14H2,1H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.28E+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))
BDBM44178
PNG
(1-[1-(1-Benzo[1,3]dioxol-5-ylmethyl-1H-tetrazol-5-...)
Show SMILES Cc1nc2cc(ccc2n1C1CCN(Cc2nnnn2Cc2ccc3OCOc3c2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N7O2/c1-15-28-19-11-17(24(25,26)27)3-4-20(19)34(15)18-6-8-32(9-7-18)13-23-29-30-31-33(23)12-16-2-5-21-22(10-16)36-14-35-21/h2-5,10-11,18H,6-9,12-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.64E+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