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BDBM34510 1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridin-2-yl)acetyl]nipecotic acid ethyl ester::1-[2-(4,6-dimethyl-3-oxo-2-isothiazolo[5,4-b]pyridinyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester::MLS000118886::SMR000095826::cid_5308606::ethyl 1-[2-(4,6-dimethyl-3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-2-yl)ethanoyl]piperidine-3-carboxylate::ethyl 1-[2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetyl]piperidine-3-carboxylate

SMILES: CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O

InChI Key: InChIKey=BBTAMTHTICISKA-UHFFFAOYSA-N

Data: 7 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 12 hits for monomerid = 34510   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.03E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens (Human))
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
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))
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
PDB
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UniChem
PCBioAssay
n/an/an/an/a 2.24E+3n/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))
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
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n/an/an/an/a 1.89E+3n/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 8


(Homo sapiens (Human))
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
PCBioAssay
n/an/an/an/a 5.42E+3n/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
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 5.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
PCBioAssay
n/an/a 1.26E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
PCBioAssay
n/an/a 6.17E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
PCBioAssay
n/an/a 4.71E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
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UniChem
PCBioAssay
n/an/a 3.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.06.006
BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
PDB

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antibodypedia
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UniChem
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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)


Article DOI: 10.1021/cb400177q
BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair