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BDBM40034 MLS000093573::N-(3-keto-4-methyl-1,4-benzothiazin-6-yl)-4-piperidino-piperidine-1-carboxamide::N-(4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl)-4-piperidin-1-yl-piperidine-1-carboxamide::N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-(1-piperidinyl)-1-piperidinecarboxamide::N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-piperidin-1-ylpiperidine-1-carboxamide::N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)-1,4'-bipiperidine-1'-carboxamide::SMR000029191::cid_3241667

SMILES: CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12

InChI Key: InChIKey=GLAMRQHQNIRTNJ-UHFFFAOYSA-N

Data: 4 IC50  5 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 9 hits for monomerid = 40034   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM40034
PNG
(MLS000093573 | N-(3-keto-4-methyl-1,4-benzothiazin...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C20H28N4O2S/c1-22-17-13-15(5-6-18(17)27-14-19(22)25)21-20(26)24-11-7-16(8-12-24)23-9-3-2-4-10-23/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,21,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.18E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens (Human))
BDBM40034
PNG
(MLS000093573 | N-(3-keto-4-methyl-1,4-benzothiazin...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C20H28N4O2S/c1-22-17-13-15(5-6-18(17)27-14-19(22)25)21-20(26)24-11-7-16(8-12-24)23-9-3-2-4-10-23/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,21,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM40034
PNG
(MLS000093573 | N-(3-keto-4-methyl-1,4-benzothiazin...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C20H28N4O2S/c1-22-17-13-15(5-6-18(17)27-14-19(22)25)21-20(26)24-11-7-16(8-12-24)23-9-3-2-4-10-23/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,21,26)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM40034
PNG
(MLS000093573 | N-(3-keto-4-methyl-1,4-benzothiazin...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C20H28N4O2S/c1-22-17-13-15(5-6-18(17)27-14-19(22)25)21-20(26)24-11-7-16(8-12-24)23-9-3-2-4-10-23/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,21,26)
PDB
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KEGG

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antibodypedia
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PC sid
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM40034
PNG
(MLS000093573 | N-(3-keto-4-methyl-1,4-benzothiazin...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C20H28N4O2S/c1-22-17-13-15(5-6-18(17)27-14-19(22)25)21-20(26)24-11-7-16(8-12-24)23-9-3-2-4-10-23/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,21,26)
PDB

KEGG

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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40034
PNG
(MLS000093573 | N-(3-keto-4-methyl-1,4-benzothiazin...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C20H28N4O2S/c1-22-17-13-15(5-6-18(17)27-14-19(22)25)21-20(26)24-11-7-16(8-12-24)23-9-3-2-4-10-23/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,21,26)
PDB

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n/an/a 23n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40034
PNG
(MLS000093573 | N-(3-keto-4-methyl-1,4-benzothiazin...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C20H28N4O2S/c1-22-17-13-15(5-6-18(17)27-14-19(22)25)21-20(26)24-11-7-16(8-12-24)23-9-3-2-4-10-23/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,21,26)
PDB

UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.24E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM40034
PNG
(MLS000093573 | N-(3-keto-4-methyl-1,4-benzothiazin...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C20H28N4O2S/c1-22-17-13-15(5-6-18(17)27-14-19(22)25)21-20(26)24-11-7-16(8-12-24)23-9-3-2-4-10-23/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,21,26)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40034
PNG
(MLS000093573 | N-(3-keto-4-methyl-1,4-benzothiazin...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C20H28N4O2S/c1-22-17-13-15(5-6-18(17)27-14-19(22)25)21-20(26)24-11-7-16(8-12-24)23-9-3-2-4-10-23/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,21,26)
PDB

UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.70E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair