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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'micioni di bonaventura' and Initial = 'mv'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004767
PNG
(CHEMBL2312536)
Show SMILES COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m0/s1
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0.309n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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0.372n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004768
PNG
(CHEMBL2312538)
Show SMILES C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m0/s1
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0.398n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004766
PNG
(CHEMBL2312226)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259021
PNG
(CHEMBL4067083)
Show SMILES [O-][N+](=O)c1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N2O5/c28-27(29)23-13-7-8-14-24(23)31-16-15-26-17-22-18-30-19-25(32-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26H,15-19H2
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0.562n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004769
PNG
(CHEMBL2312537)
Show SMILES C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
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0.589n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412783
PNG
(CHEMBL493486)
Show SMILES COc1ccccc1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m1/s1
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0.603n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259024
PNG
(CHEMBL4071929)
Show SMILES COCOc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO5/c1-29-21-32-26-15-9-8-14-25(26)31-17-16-28-18-24-19-30-20-27(33-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,28H,16-21H2,1H3
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0.631n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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0.661n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259000
PNG
(CHEMBL4082195)
Show SMILES Oc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO4/c27-23-13-7-8-14-24(23)29-16-15-26-17-22-18-28-19-25(30-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26-27H,15-19H2
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0.692n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259023
PNG
(CHEMBL4075507)
Show SMILES Clc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26ClNO3/c26-23-13-7-8-14-24(23)29-16-15-27-17-22-18-28-19-25(30-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,27H,15-19H2
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0.794n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259020
PNG
(CHEMBL4091168)
Show SMILES C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-27-18-22(29-24)17-25-15-16-28-23-13-7-8-14-26-23/h1-14,22,25H,15-19H2
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0.891n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha-1d adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091345
PNG
(CHEMBL2092861)
Show SMILES C[C@@H](Cc1ccccc1)C1=NCCN1
Show InChI InChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259022
PNG
(CHEMBL4070363)
Show SMILES Cc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c1-21-10-8-9-15-25(21)29-17-16-27-18-24-19-28-20-26(30-24,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,27H,16-20H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha-1d adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
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1.40n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid ...


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50004772
PNG
(CHEMBL2312225)
Show SMILES COc1cccc(OC)c1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412784
PNG
(CHEMBL493285)
Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50193034
PNG
(CHEMBL3904276)
Show SMILES Cc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C11H15N3/c1-9-4-2-3-5-10(9)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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2n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid ...


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412778
PNG
(CHEMBL521665)
Show SMILES COc1ccccc1OCCNC[C@@H]1CO[C@@H](CO1)c1ccccc1
Show InChI InChI=1S/C20H25NO4/c1-22-18-9-5-6-10-19(18)23-12-11-21-13-17-14-25-20(15-24-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50193035
PNG
(CHEMBL3961335)
Show SMILES C=CCc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H17N3/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h2-4,6-7,16H,1,5,8-10H2,(H,14,15)
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4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid ...


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412773
PNG
(CHEMBL452437)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091347
PNG
(CHEMBL71429)
Show SMILES CC(Cc1ccccc1)C1=NCCN1
Show InChI InChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)
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5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50259022
PNG
(CHEMBL4070363)
Show SMILES Cc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c1-21-10-8-9-15-25(21)29-17-16-27-18-24-19-28-20-26(30-24,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,27H,16-20H2,1H3
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5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha-1d adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50259020
PNG
(CHEMBL4091168)
Show SMILES C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-27-18-22(29-24)17-25-15-16-28-23-13-7-8-14-26-23/h1-14,22,25H,15-19H2
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5.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha-1d adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50259023
PNG
(CHEMBL4075507)
Show SMILES Clc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26ClNO3/c26-23-13-7-8-14-24(23)29-16-15-27-17-22-18-28-19-25(30-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,27H,15-19H2
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5.90n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha-1d adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412790
PNG
(CHEMBL493041)
Show SMILES COc1ccccc1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1
Show InChI InChI=1S/C20H25NO4/c1-22-18-9-5-6-10-19(18)24-12-11-21-13-17-14-23-15-20(25-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20+/m1/s1
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6n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50259021
PNG
(CHEMBL4067083)
Show SMILES [O-][N+](=O)c1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N2O5/c28-27(29)23-13-7-8-14-24(23)31-16-15-26-17-22-18-30-19-25(32-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26H,15-19H2
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6.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha-1d adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259005
PNG
(CHEMBL4076339)
Show SMILES COc1ccccc1OCCNCC1COC(CO1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)29-17-16-27-18-23-19-31-26(20-30-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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7.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50027031
PNG
((2-Chloro-phenyl)-(4,5-dihydro-1H-imidazol-2-ylmet...)
Show SMILES Clc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C10H12ClN3/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,14H,5-7H2,(H,12,13)
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7.60n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid ...


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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8.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from recombinant human D4 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counti...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50193036
PNG
(CHEMBL3892351)
Show SMILES CCCc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H19N3/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h3-4,6-7,16H,2,5,8-10H2,1H3,(H,14,15)
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8.30n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid ...


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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12n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from recombinant human D2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counti...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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13n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from recombinant human D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counti...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091336
PNG
(CHEMBL3582266)
Show SMILES C[C@@H](Cc1ccccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)/t11-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50259000
PNG
(CHEMBL4082195)
Show SMILES Oc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO4/c27-23-13-7-8-14-24(23)29-16-15-26-17-22-18-28-19-25(30-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26-27H,15-19H2
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15n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from recombinant human D2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counti...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50143718
PNG
(8-{2-[4-(2-Hydroxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H29N3O3/c25-18-6-2-1-5-17(18)23-12-9-22(10-13-23)11-14-24-19(26)15-21(16-20(24)27)7-3-4-8-21/h1-2,5-6,25H,3-4,7-16H2
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16n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha-1d adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50193039
PNG
(CHEMBL1439667)
Show SMILES Cc1ccccc1\C=C\C1=NCCN1
Show InChI InChI=1S/C12H14N2/c1-10-4-2-3-5-11(10)6-7-12-13-8-9-14-12/h2-7H,8-9H2,1H3,(H,13,14)/b7-6+
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18n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid ...


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50138500
PNG
(2-((E)-Styryl)-4,5-dihydro-1H-imidazole | 2-styryl...)
Show SMILES C1CN=C(N1)\C=C\c1ccccc1
Show InChI InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+
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19n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in rat PC12 cell membranes after 30 mins by gamma counting method


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091338
PNG
(CHEMBL3582264)
Show SMILES CC(Cc1ccccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)
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23n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50193037
PNG
(CHEMBL3920069)
Show SMILES Clc1ccccc1\C=C\C1=NCCN1
Show InChI InChI=1S/C11H11ClN2/c12-10-4-2-1-3-9(10)5-6-11-13-7-8-14-11/h1-6H,7-8H2,(H,13,14)/b6-5+
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24n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid ...


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412780
PNG
(CHEMBL449057)
Show SMILES C(COc1ccccc1)NC[C@@H]1CO[C@@H](CO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-3-7-16(8-4-1)19-15-22-18(14-23-19)13-20-11-12-21-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19+/m1/s1
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26n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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28n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha-1a adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50259000
PNG
(CHEMBL4082195)
Show SMILES Oc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO4/c27-23-13-7-8-14-24(23)29-16-15-26-17-22-18-28-19-25(30-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26-27H,15-19H2
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34n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from recombinant human D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counti...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50259000
PNG
(CHEMBL4082195)
Show SMILES Oc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO4/c27-23-13-7-8-14-24(23)29-16-15-26-17-22-18-28-19-25(30-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26-27H,15-19H2
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36n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from recombinant human D4 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counti...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50259019
PNG
(CHEMBL4079031)
Show SMILES C(COc1ccccc1)NCC1COC(CO1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-28-24(19-29-25)18-26-16-17-27-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
37n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412779
PNG
(CHEMBL494908)
Show SMILES COc1ccccc1OCCNC[C@@H]1CO[C@H](CO1)c1ccccc1
Show InChI InChI=1S/C20H25NO4/c1-22-18-9-5-6-10-19(18)23-12-11-21-13-17-14-25-20(15-24-17)16-7-3-2-4-8-16/h2-10,17,20-21H,11-15H2,1H3/t17-,20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
39n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412782
PNG
(CHEMBL493697)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
45n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
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