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BDBM36878 2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]-1,3-benzothiazole::2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-benzothiazole::2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazino]-1,3-benzothiazole::7-(4-Benzothiazol-2-yl-piperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine::MLS000029982::SMR000007687::cid_655948

SMILES: Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1

InChI Key: InChIKey=ZKRWGPGVLZYPQJ-UHFFFAOYSA-N

Data: 7 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 10 hits for monomerid = 36878   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
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n/an/an/an/a>9.51E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
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n/an/an/an/a 7.90E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
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n/an/an/an/a 6.29E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 7.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Tegument protein VP16


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
MMDB

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n/an/a 8.54E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
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n/an/a>1.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 2.29E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
COUP transcription factor 2


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 6.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair
Galanin receptor type 3


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 1.43E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 9.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair