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BDBM65465 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,2,6,6-tetramethyl-4-piperidinyl)thiourea::1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,2,6,6-tetramethyl-4-piperidyl)thiourea::1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea::MLS001018998::SMR000363325::cid_2483623

SMILES: Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1

InChI Key: InChIKey=ZMECXCUFCNSLRG-UHFFFAOYSA-N

Data: 12 IC50

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 = 65465   
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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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n/an/a 1.68E+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/Q2X34VX0
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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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/Q25D8Q92
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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n/an/a>2.00E+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)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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n/an/a 2.39E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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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 (G6PD)


(Homo sapiens (Human))
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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Burnham Center for Chemical Genomics

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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
Protein HSP-16.2


(Caenorhabditis elegans)
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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n/an/a>6.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21J98BN
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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Burnham Center for Chemical Genomics

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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/Q23T9FQ1
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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n/an/a 6.27E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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n/an/a 4.36E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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n/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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n/an/a 1.59E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM65465
PNG
(1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2,...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Show InChI InChI=1S/C24H30N4S2/c1-15-6-11-19-20(12-15)30-21(27-19)16-7-9-17(10-8-16)25-22(29)26-18-13-23(2,3)28-24(4,5)14-18/h6-12,18,28H,13-14H2,1-5H3,(H2,25,26,29)
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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)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair