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BDBM50032954 5-(piperidin-4-yl)isoxazol-3-ol::5-Piperidin-4-yl-isoxazol-3-ol::5-Piperidin-4-yl-isoxazol-3-ol(4-PIOL)::CHEMBL311761

SMILES: O=c1cc(o[nH]1)C1CCNCC1

InChI Key: InChIKey=YYOYGSTYWVHCJR-UHFFFAOYSA-N

Data: 1 KI  7 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 8 hits for monomerid = 50032954   
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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
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Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
PDB
MMDB

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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
GABA-B receptor 1/2


(Rattus norvegicus (Rat))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
PDB

KEGG

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n/an/a>1.00E+5n/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of Gamma-aminobutyric acid type B receptor of rat cortex


J Med Chem 38: 3287-96 (1995)


BindingDB Entry DOI: 10.7270/Q2B858S0
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
PDB

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antibodypedia
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antibodypedia
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CHEMBL
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Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells at < 500 uM by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of plasminogen/fibrinogen interaction in pooled citrated human platelet-poor plasma assessed as inhibition of lysis of CaCl2/t-PA-induced ...


J Med Chem 56: 3273-80 (2013)


Article DOI: 10.1021/jm301818g
BindingDB Entry DOI: 10.7270/Q2F47QGN
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
PDB
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Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Glu-plasminogen/fibrinogen interaction in HEPES buffer assessed as inhibition of lysis of thrombin-induced clot preincubated for ...


J Med Chem 56: 3273-80 (2013)


Article DOI: 10.1021/jm301818g
BindingDB Entry DOI: 10.7270/Q2F47QGN
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
PDB
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CHEMBL
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UniChem

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Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human full length Glu-plasminogen in buffer assessed as inhibition of interaction with fibrin preincubated for 15 mins followed b...


ACS Med Chem Lett 5: 538-43 (2014)


Article DOI: 10.1021/ml400526d
BindingDB Entry DOI: 10.7270/Q2QJ7JV4
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair