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BDBM74710 8-(5-Phenyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-aza-spiro[4.5]decane::8-[2-(4-methylphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane::8-[2-(4-methylphenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane::8-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane::8-[5-phenyl-2-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane::MLS000528697::SMR000121172::cid_1441409

SMILES: Cc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1

InChI Key: InChIKey=NDXOATUNXVCPTB-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 74710   
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
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM74710
PNG
(8-(5-Phenyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-19-7-9-21(10-8-19)23-17-24-27-22(20-5-3-2-4-6-20)18-25(30(24)28-23)29-13-11-26(12-14-29)31-15-16-32-26/h2-10,17-18H,11-16H2,1H3
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PC sid
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PCBioAssay
n/an/an/an/a 5.56E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM74710
PNG
(8-(5-Phenyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-19-7-9-21(10-8-19)23-17-24-27-22(20-5-3-2-4-6-20)18-25(30(24)28-23)29-13-11-26(12-14-29)31-15-16-32-26/h2-10,17-18H,11-16H2,1H3
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n/an/a 1.74E+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 (2011)


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


(Homo sapiens (Human))
BDBM74710
PNG
(8-(5-Phenyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-19-7-9-21(10-8-19)23-17-24-27-22(20-5-3-2-4-6-20)18-25(30(24)28-23)29-13-11-26(12-14-29)31-15-16-32-26/h2-10,17-18H,11-16H2,1H3
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antibodypedia
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UniChem

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PCBioAssay
n/an/a 5.68E+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