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BDBM38923 (2-oxidanylideneoxolan-3-yl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate::(2-oxooxolan-3-yl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate::5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid (2-oxo-3-oxolanyl) ester::5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid (2-ketotetrahydrofuran-3-yl) ester::MLS000096514::SMR000062409::cid_2997660

SMILES: O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1

InChI Key: InChIKey=AKUDASUHMBZVPZ-UHFFFAOYSA-N

Data: 6 IC50  1 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 7 hits for monomerid = 38923   
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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38923
PNG
((2-oxidanylideneoxolan-3-yl) 5-(1,3-benzothiazol-2...)
Show SMILES O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H11NO4S2/c18-15-10(7-8-20-15)21-16(19)13-6-5-12(22-13)14-17-9-3-1-2-4-11(9)23-14/h1-6,10H,7-8H2
PDB
MMDB

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n/an/a 4.26E+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
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM38923
PNG
((2-oxidanylideneoxolan-3-yl) 5-(1,3-benzothiazol-2...)
Show SMILES O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H11NO4S2/c18-15-10(7-8-20-15)21-16(19)13-6-5-12(22-13)14-17-9-3-1-2-4-11(9)23-14/h1-6,10H,7-8H2
PDB
MMDB

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n/an/a 5.18E+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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38923
PNG
((2-oxidanylideneoxolan-3-yl) 5-(1,3-benzothiazol-2...)
Show SMILES O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H11NO4S2/c18-15-10(7-8-20-15)21-16(19)13-6-5-12(22-13)14-17-9-3-1-2-4-11(9)23-14/h1-6,10H,7-8H2
PDB
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n/an/a 6.33E+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
Kallikrein 7


(Homo sapiens (Human))
BDBM38923
PNG
((2-oxidanylideneoxolan-3-yl) 5-(1,3-benzothiazol-2...)
Show SMILES O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H11NO4S2/c18-15-10(7-8-20-15)21-16(19)13-6-5-12(22-13)14-17-9-3-1-2-4-11(9)23-14/h1-6,10H,7-8H2
PDB
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM38923
PNG
((2-oxidanylideneoxolan-3-yl) 5-(1,3-benzothiazol-2...)
Show SMILES O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H11NO4S2/c18-15-10(7-8-20-15)21-16(19)13-6-5-12(22-13)14-17-9-3-1-2-4-11(9)23-14/h1-6,10H,7-8H2
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n/an/a 9.49E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM38923
PNG
((2-oxidanylideneoxolan-3-yl) 5-(1,3-benzothiazol-2...)
Show SMILES O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H11NO4S2/c18-15-10(7-8-20-15)21-16(19)13-6-5-12(22-13)14-17-9-3-1-2-4-11(9)23-14/h1-6,10H,7-8H2
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n/an/a 1.98E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM38923
PNG
((2-oxidanylideneoxolan-3-yl) 5-(1,3-benzothiazol-2...)
Show SMILES O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H11NO4S2/c18-15-10(7-8-20-15)21-16(19)13-6-5-12(22-13)14-17-9-3-1-2-4-11(9)23-14/h1-6,10H,7-8H2
PDB
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UniChem
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n/an/a 5.75E+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/Q2319T8T
More data for this
Ligand-Target Pair