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SMILES: Oc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1

InChI Key: InChIKey=ACGDOENMVGVLMG-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 = 43928   
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))
BDBM43928
PNG
(1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[4-furan-2-y...)
Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1
Show InChI InChI=1S/C24H22N4O3S/c29-20-9-7-18(8-10-20)23-25-26-24(28(23)15-21-6-3-13-31-21)32-16-22(30)27-12-11-17-4-1-2-5-19(17)14-27/h1-10,13,29H,11-12,14-16H2
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PC cid
PC sid
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PCBioAssay
n/an/an/an/a 5.73E+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))
BDBM43928
PNG
(1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[4-furan-2-y...)
Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1
Show InChI InChI=1S/C24H22N4O3S/c29-20-9-7-18(8-10-20)23-25-26-24(28(23)15-21-6-3-13-31-21)32-16-22(30)27-12-11-17-4-1-2-5-19(17)14-27/h1-10,13,29H,11-12,14-16H2
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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a 5.59E+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))
BDBM43928
PNG
(1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[4-furan-2-y...)
Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1
Show InChI InChI=1S/C24H22N4O3S/c29-20-9-7-18(8-10-20)23-25-26-24(28(23)15-21-6-3-13-31-21)32-16-22(30)27-12-11-17-4-1-2-5-19(17)14-27/h1-10,13,29H,11-12,14-16H2
PDB

Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.53E+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