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BDBM87341 3-[3-(4-tert-Butyl-phenyl)-[1,2,4]oxadiazol-5-yl]-N-pyridin-3-yl-propionamide::3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridinyl)propanamide::3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridyl)propionamide::3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-yl-propanamide::3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide::MLS001217081::SMR000612927::cid_1991339

SMILES: CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2cccnc2)n1

InChI Key: InChIKey=VAODZZBDMCCPGO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 87341   
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 coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87341
PNG
(3-[3-(4-tert-Butyl-phenyl)-[1,2,4]oxadiazol-5-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2cccnc2)n1
Show InChI InChI=1S/C20H22N4O2/c1-20(2,3)15-8-6-14(7-9-15)19-23-18(26-24-19)11-10-17(25)22-16-5-4-12-21-13-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)
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n/an/a>1.33E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM87341
PNG
(3-[3-(4-tert-Butyl-phenyl)-[1,2,4]oxadiazol-5-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2cccnc2)n1
Show InChI InChI=1S/C20H22N4O2/c1-20(2,3)15-8-6-14(7-9-15)19-23-18(26-24-19)11-10-17(25)22-16-5-4-12-21-13-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)
PDB
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n/an/a<1.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87341
PNG
(3-[3-(4-tert-Butyl-phenyl)-[1,2,4]oxadiazol-5-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2cccnc2)n1
Show InChI InChI=1S/C20H22N4O2/c1-20(2,3)15-8-6-14(7-9-15)19-23-18(26-24-19)11-10-17(25)22-16-5-4-12-21-13-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)
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n/an/a>3.99E+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 (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87341
PNG
(3-[3-(4-tert-Butyl-phenyl)-[1,2,4]oxadiazol-5-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2cccnc2)n1
Show InChI InChI=1S/C20H22N4O2/c1-20(2,3)15-8-6-14(7-9-15)19-23-18(26-24-19)11-10-17(25)22-16-5-4-12-21-13-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)
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n/an/a 2.39E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair