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SMILES: CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=JHWHGQXMPXAJBH-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 = 43906   
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))
BDBM43906
PNG
((2-methyl-2,3-dihydroindol-1-yl)-(3-nitro-4-pyrrol...)
Show SMILES CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H21N3O3/c1-14-12-15-6-2-3-7-17(15)22(14)20(24)16-8-9-18(19(13-16)23(25)26)21-10-4-5-11-21/h2-3,6-9,13-14H,4-5,10-12H2,1H3
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n/an/an/an/a 361n/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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43906
PNG
((2-methyl-2,3-dihydroindol-1-yl)-(3-nitro-4-pyrrol...)
Show SMILES CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H21N3O3/c1-14-12-15-6-2-3-7-17(15)22(14)20(24)16-8-9-18(19(13-16)23(25)26)21-10-4-5-11-21/h2-3,6-9,13-14H,4-5,10-12H2,1H3
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n/an/an/an/a 651n/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))
BDBM43906
PNG
((2-methyl-2,3-dihydroindol-1-yl)-(3-nitro-4-pyrrol...)
Show SMILES CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H21N3O3/c1-14-12-15-6-2-3-7-17(15)22(14)20(24)16-8-9-18(19(13-16)23(25)26)21-10-4-5-11-21/h2-3,6-9,13-14H,4-5,10-12H2,1H3
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n/an/an/an/a 772n/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))
BDBM43906
PNG
((2-methyl-2,3-dihydroindol-1-yl)-(3-nitro-4-pyrrol...)
Show SMILES CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H21N3O3/c1-14-12-15-6-2-3-7-17(15)22(14)20(24)16-8-9-18(19(13-16)23(25)26)21-10-4-5-11-21/h2-3,6-9,13-14H,4-5,10-12H2,1H3
PDB

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n/an/a 5.10E+4n/an/an/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/Q2ZP44H3
More data for this
Ligand-Target Pair