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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'severi' and Initial = 'e'   
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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane after 180 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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9.30n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50353493
PNG
(CHEMBL1830760)
Show SMILES CCCCCN(CCCCC)C(=O)Cc1coc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H29FN2O2/c1-3-5-7-13-24(14-8-6-4-2)20(25)15-19-16-26-21(23-19)17-9-11-18(22)12-10-17/h9-12,16H,3-8,13-15H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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14n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane after 180 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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16n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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23n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353499
PNG
(CHEMBL1830752)
Show SMILES CCCCCN(CCCCC)C(=O)Cc1coc(n1)-c1ccccc1
Show InChI InChI=1S/C21H30N2O2/c1-3-5-10-14-23(15-11-6-4-2)20(24)16-19-17-25-21(22-19)18-12-8-7-9-13-18/h7-9,12-13,17H,3-6,10-11,14-16H2,1-2H3
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32n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353495
PNG
(CHEMBL1830756)
Show SMILES CCCCCN(CCCCC)C(=O)Cc1coc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H29ClN2O2/c1-3-5-7-13-24(14-8-6-4-2)20(25)15-19-16-26-21(23-19)17-9-11-18(22)12-10-17/h9-12,16H,3-8,13-15H2,1-2H3
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45n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353485
PNG
(CHEMBL1830767)
Show SMILES CCCCCN(CCCCC)C(=O)Cc1cc(on1)-c1ccccc1
Show InChI InChI=1S/C21H30N2O2/c1-3-5-10-14-23(15-11-6-4-2)21(24)17-19-16-20(25-22-19)18-12-8-7-9-13-18/h7-9,12-13,16H,3-6,10-11,14-15,17H2,1-2H3
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51n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353487
PNG
(CHEMBL1830764)
Show SMILES CCCCCN(CCCCC)C(=O)Cc1coc(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C22H32N2O2/c1-4-6-8-14-24(15-9-7-5-2)21(25)16-20-17-26-22(23-20)19-12-10-18(3)11-13-19/h10-13,17H,4-9,14-16H2,1-3H3
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68n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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73n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353492
PNG
(CHEMBL1830759)
Show SMILES CCCCN(CCCC)C(=O)Cc1coc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H25FN2O2/c1-3-5-11-22(12-6-4-2)18(23)13-17-14-24-19(21-17)15-7-9-16(20)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3
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88n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353505
PNG
(CHEMBL1830744)
Show SMILES CCCCCN(CCCCC)C(=O)Cc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C20H29N3O2/c1-3-5-10-14-23(15-11-6-4-2)19(24)16-18-21-20(22-25-18)17-12-8-7-9-13-17/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3
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133n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353497
PNG
(CHEMBL1830753)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1coc(n1)-c1ccccc1
Show InChI InChI=1S/C23H34N2O2/c1-3-5-7-12-16-25(17-13-8-6-4-2)22(26)18-21-19-27-23(24-21)20-14-10-9-11-15-20/h9-11,14-15,19H,3-8,12-13,16-18H2,1-2H3
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151n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353503
PNG
(CHEMBL1830748)
Show SMILES CCCCCN(CCCCC)C(=O)Cc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H28ClN3O2/c1-3-5-7-13-24(14-8-6-4-2)19(25)15-18-22-20(23-26-18)16-9-11-17(21)12-10-16/h9-12H,3-8,13-15H2,1-2H3
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152n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353491
PNG
(CHEMBL1830761)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1coc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H33FN2O2/c1-3-5-7-9-15-26(16-10-8-6-4-2)22(27)17-21-18-28-23(25-21)19-11-13-20(24)14-12-19/h11-14,18H,3-10,15-17H2,1-2H3
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157n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50493707
PNG
(CHEMBL2435536)
Show SMILES O=C(C(=O)c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H17NO2/c25-22(18-11-5-2-6-12-18)23(26)20-16-24(15-17-9-3-1-4-10-17)21-14-8-7-13-19(20)21/h1-14,16H,15H2
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162n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane after 180 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353496
PNG
(CHEMBL1830755)
Show SMILES CCCCN(CCCC)C(=O)Cc1coc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H25ClN2O2/c1-3-5-11-22(12-6-4-2)18(23)13-17-14-24-19(21-17)15-7-9-16(20)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3
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177n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353486
PNG
(CHEMBL1830766)
Show SMILES CCCCCN(CCCCC)C(=O)Cc1cc(no1)-c1ccccc1
Show InChI InChI=1S/C21H30N2O2/c1-3-5-10-14-23(15-11-6-4-2)21(24)17-19-16-20(22-25-19)18-12-8-7-9-13-18/h7-9,12-13,16H,3-6,10-11,14-15,17H2,1-2H3
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257n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353502
PNG
(CHEMBL1830747)
Show SMILES CCCCN(CCCC)C(=O)Cc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H24ClN3O2/c1-3-5-11-22(12-6-4-2)17(23)13-16-20-18(21-24-16)14-7-9-15(19)10-8-14/h7-10H,3-6,11-13H2,1-2H3
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267n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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337n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50493701
PNG
(CHEMBL2435537)
Show SMILES O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccco1
Show InChI InChI=1S/C21H15NO3/c23-20(21(24)19-11-6-12-25-19)17-14-22(13-15-7-2-1-3-8-15)18-10-5-4-9-16(17)18/h1-12,14H,13H2
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343n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane after 180 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353501
PNG
(CHEMBL1830751)
Show SMILES CCCCN(CCCC)C(=O)Cc1coc(n1)-c1ccccc1
Show InChI InChI=1S/C19H26N2O2/c1-3-5-12-21(13-6-4-2)18(22)14-17-15-23-19(20-17)16-10-8-7-9-11-16/h7-11,15H,3-6,12-14H2,1-2H3
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346n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353517
PNG
(CHEMBL1830733)
Show SMILES CCCCCN(CCCCC)C(=O)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C20H28N2O2/c1-3-5-10-14-22(15-11-6-4-2)20(23)19-16-18(21-24-19)17-12-8-7-9-13-17/h7-9,12-13,16H,3-6,10-11,14-15H2,1-2H3
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379n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353510
PNG
(CHEMBL1830738)
Show SMILES CCCCCN(CCCCC)C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C20H28N2O2/c1-3-5-10-14-22(15-11-6-4-2)20(23)18-16-19(24-21-18)17-12-8-7-9-13-17/h7-9,12-13,16H,3-6,10-11,14-15H2,1-2H3
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382n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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401n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353490
PNG
(CHEMBL1830763)
Show SMILES CCCCN(CCCC)C(=O)Cc1coc(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C20H28N2O2/c1-4-6-12-22(13-7-5-2)19(23)14-18-15-24-20(21-18)17-10-8-16(3)9-11-17/h8-11,15H,4-7,12-14H2,1-3H3
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487n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353533
PNG
(CHEMBL1830743)
Show SMILES CCCCN(CCCC)C(=O)Cc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C18H25N3O2/c1-3-5-12-21(13-6-4-2)17(22)14-16-19-18(20-23-16)15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3
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489n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353520
PNG
(CHEMBL1830727)
Show SMILES CCCCCN(CCCCC)C(=O)c1coc(n1)-c1ccccc1
Show InChI InChI=1S/C20H28N2O2/c1-3-5-10-14-22(15-11-6-4-2)20(23)18-16-24-19(21-18)17-12-8-7-9-13-17/h7-9,12-13,16H,3-6,10-11,14-15H2,1-2H3
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613n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353512
PNG
(CHEMBL1830737)
Show SMILES CCCCN(CCCC)C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C18H24N2O2/c1-3-5-12-20(13-6-4-2)18(21)16-14-17(22-19-16)15-10-8-7-9-11-15/h7-11,14H,3-6,12-13H2,1-2H3
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620n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353516
PNG
(CHEMBL1830732)
Show SMILES CCCCN(CCCC)C(=O)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C18H24N2O2/c1-3-5-12-20(13-6-4-2)18(21)17-14-16(19-22-17)15-10-8-7-9-11-15/h7-11,14H,3-6,12-13H2,1-2H3
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651n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353532
PNG
(CHEMBL1830757)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1coc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H33ClN2O2/c1-3-5-7-9-15-26(16-10-8-6-4-2)22(27)17-21-18-28-23(25-21)19-11-13-20(24)14-12-19/h11-14,18H,3-10,15-17H2,1-2H3
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704n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353528
PNG
(CHEMBL1830719)
Show SMILES CCCCN(CCCC)C(=O)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C17H23N3O2/c1-3-5-12-20(13-6-4-2)17(21)16-18-15(19-22-16)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
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772n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353488
PNG
(CHEMBL1830765)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1coc(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C24H36N2O2/c1-4-6-8-10-16-26(17-11-9-7-5-2)23(27)18-22-19-28-24(25-22)21-14-12-20(3)13-15-21/h12-15,19H,4-11,16-18H2,1-3H3
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877n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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890n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane after 180 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353527
PNG
(CHEMBL1830720)
Show SMILES CCCCCN(CCCCC)C(=O)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C19H27N3O2/c1-3-5-10-14-22(15-11-6-4-2)19(23)18-20-17(21-24-18)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
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914n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353498
PNG
(CHEMBL1830754)
Show SMILES CCCN(CCC)C(=O)Cc1coc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN2O2/c1-3-9-20(10-4-2)16(21)11-15-12-22-17(19-15)13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
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942n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50493706
PNG
(CHEMBL2435539)
Show SMILES O=C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H20N2O/c26-23(24-15-18-9-3-1-4-10-18)21-17-25(16-19-11-5-2-6-12-19)22-14-8-7-13-20(21)22/h1-14,17H,15-16H2,(H,24,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50493707
PNG
(CHEMBL2435536)
Show SMILES O=C(C(=O)c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H17NO2/c25-22(18-11-5-2-6-12-18)23(26)20-16-24(15-17-9-3-1-4-10-17)21-14-8-7-13-19(20)21/h1-14,16H,15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50493701
PNG
(CHEMBL2435537)
Show SMILES O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccco1
Show InChI InChI=1S/C21H15NO3/c23-20(21(24)19-11-6-12-25-19)17-14-22(13-15-7-2-1-3-8-15)18-10-5-4-9-16(17)18/h1-12,14H,13H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50493705
PNG
(CHEMBL2435534)
Show SMILES O=C(NCc1ccccc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H20N2O2/c27-23(24(28)25-15-18-9-3-1-4-10-18)21-17-26(16-19-11-5-2-6-12-19)22-14-8-7-13-20(21)22/h1-14,17H,15-16H2,(H,25,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50493704
PNG
(CHEMBL2435535)
Show SMILES O=C(Nc1ccccc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H18N2O2/c26-22(23(27)24-18-11-5-2-6-12-18)20-16-25(15-17-9-3-1-4-10-17)21-14-8-7-13-19(20)21/h1-14,16H,15H2,(H,24,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50493703
PNG
(CHEMBL2435538)
Show SMILES O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1cccs1
Show InChI InChI=1S/C21H15NO2S/c23-20(21(24)19-11-6-12-25-19)17-14-22(13-15-7-2-1-3-8-15)18-10-5-4-9-16(17)18/h1-12,14H,13H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50493702
PNG
(CHEMBL2435540)
Show SMILES O=C(Nc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C22H18N2O/c25-22(23-18-11-5-2-6-12-18)20-16-24(15-17-9-3-1-4-10-17)21-14-8-7-13-19(20)21/h1-14,16H,15H2,(H,23,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins


Eur J Med Chem 69: 331-7 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353506
PNG
(CHEMBL1830745)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H33N3O2/c1-3-5-7-12-16-25(17-13-8-6-4-2)21(26)18-20-23-22(24-27-20)19-14-10-9-11-15-19/h9-11,14-15H,3-8,12-13,16-18H2,1-2H3
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353494
PNG
(CHEMBL1830758)
Show SMILES CCCN(CCC)C(=O)Cc1coc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H21FN2O2/c1-3-9-20(10-4-2)16(21)11-15-12-22-17(19-15)13-5-7-14(18)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
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1.63E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353500
PNG
(CHEMBL1830750)
Show SMILES CCCN(CCC)C(=O)Cc1coc(n1)-c1ccccc1
Show InChI InChI=1S/C17H22N2O2/c1-3-10-19(11-4-2)16(20)12-15-13-21-17(18-15)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
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1.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50353489
PNG
(CHEMBL1830762)
Show SMILES CCCN(CCC)C(=O)Cc1coc(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C18H24N2O2/c1-4-10-20(11-5-2)17(21)12-16-13-22-18(19-16)15-8-6-14(3)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3
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2.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes


Eur J Med Chem 46: 4506-20 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.025
BindingDB Entry DOI: 10.7270/Q26D5V0V
More data for this
Ligand-Target Pair
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