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BDBM42440 1-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-(1-methyl-1H-imidazol-2-yl)piperidine::3-(1,3-benzodioxol-5-yl)-5-[[2-(1-methyl-2-imidazolyl)-1-piperidinyl]methyl]-1,2,4-oxadiazole::3-(1,3-benzodioxol-5-yl)-5-[[2-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole::3-(1,3-benzodioxol-5-yl)-5-[[2-(1-methylimidazol-2-yl)piperidino]methyl]-1,2,4-oxadiazole::MLS000734887::SMR000315785::cid_16189203

SMILES: Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1

InChI Key: InChIKey=ONZQNLLPZSWGMI-UHFFFAOYSA-N

Data: 2 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 5 hits for monomerid = 42440   
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
NCOA2 protein


(Homo sapiens (Human))
BDBM42440
PNG
(1-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]...)
Show SMILES Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H21N5O3/c1-23-9-7-20-19(23)14-4-2-3-8-24(14)11-17-21-18(22-27-17)13-5-6-15-16(10-13)26-12-25-15/h5-7,9-10,14H,2-4,8,11-12H2,1H3
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UniChem

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n/an/an/an/a>7.94E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM42440
PNG
(1-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]...)
Show SMILES Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H21N5O3/c1-23-9-7-20-19(23)14-4-2-3-8-24(14)11-17-21-18(22-27-17)13-5-6-15-16(10-13)26-12-25-15/h5-7,9-10,14H,2-4,8,11-12H2,1H3
PDB
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n/an/an/an/a>7.94E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42440
PNG
(1-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]...)
Show SMILES Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H21N5O3/c1-23-9-7-20-19(23)14-4-2-3-8-24(14)11-17-21-18(22-27-17)13-5-6-15-16(10-13)26-12-25-15/h5-7,9-10,14H,2-4,8,11-12H2,1H3
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n/an/a>3.50E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42440
PNG
(1-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]...)
Show SMILES Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H21N5O3/c1-23-9-7-20-19(23)14-4-2-3-8-24(14)11-17-21-18(22-27-17)13-5-6-15-16(10-13)26-12-25-15/h5-7,9-10,14H,2-4,8,11-12H2,1H3
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n/an/a<3.50E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM42440
PNG
(1-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]...)
Show SMILES Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H21N5O3/c1-23-9-7-20-19(23)14-4-2-3-8-24(14)11-17-21-18(22-27-17)13-5-6-15-16(10-13)26-12-25-15/h5-7,9-10,14H,2-4,8,11-12H2,1H3
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n/an/an/an/a>7.94E+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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair