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BDBM43950 8-{[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane::MLS000093672::SMR000029290::[1-(6-bromanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone::[1-(6-bromo-1,3-benzothiazol-2-yl)-4-piperidinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone::[1-(6-bromo-1,3-benzothiazol-2-yl)-4-piperidyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone::[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone::cid_3241401

SMILES: Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2

InChI Key: InChIKey=PUYUEZYEZDGPGV-UHFFFAOYSA-N

Data: 2 IC50  3 EC50

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 5 hits for monomerid = 43950   
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
STAT3


(Homo sapiens (Human))
BDBM43950
PNG
(8-{[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-y...)
Show SMILES Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24BrN3O3S/c21-15-1-2-16-17(13-15)28-19(22-16)24-7-3-14(4-8-24)18(25)23-9-5-20(6-10-23)26-11-12-27-20/h1-2,13-14H,3-12H2
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UniChem
PCBioAssay
n/an/a 2.79E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM43950
PNG
(8-{[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-y...)
Show SMILES Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24BrN3O3S/c21-15-1-2-16-17(13-15)28-19(22-16)24-7-3-14(4-8-24)18(25)23-9-5-20(6-10-23)26-11-12-27-20/h1-2,13-14H,3-12H2
PDB
MMDB

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KEGG

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PC sid
UniChem
PCBioAssay
n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43950
PNG
(8-{[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-y...)
Show SMILES Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24BrN3O3S/c21-15-1-2-16-17(13-15)28-19(22-16)24-7-3-14(4-8-24)18(25)23-9-5-20(6-10-23)26-11-12-27-20/h1-2,13-14H,3-12H2
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n/an/an/an/a 5.25E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43950
PNG
(8-{[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-y...)
Show SMILES Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24BrN3O3S/c21-15-1-2-16-17(13-15)28-19(22-16)24-7-3-14(4-8-24)18(25)23-9-5-20(6-10-23)26-11-12-27-20/h1-2,13-14H,3-12H2
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n/an/an/an/a 7.02E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43950
PNG
(8-{[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-y...)
Show SMILES Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24BrN3O3S/c21-15-1-2-16-17(13-15)28-19(22-16)24-7-3-14(4-8-24)18(25)23-9-5-20(6-10-23)26-11-12-27-20/h1-2,13-14H,3-12H2
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PC cid
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n/an/an/an/a 1.43E+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/Q2TX3CSC
More data for this
Ligand-Target Pair