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Compile Data Set for Download or QSAR

Found 812 hits with Last Name = 'simorini' and Initial = 'f'   
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 deaminase


(Bos taurus (bovine))
BDBM50370598
PNG
(CHEMBL1651379)
Show SMILES CCCCCCCC[C@@H](O)Cn1cc2c(N)ncnc2n1 |r|
Show InChI InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)/t12-/m1/s1
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0.0530n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine spleen Adenosine deaminase


J Med Chem 48: 5162-74 (2005)


Article DOI: 10.1021/jm050136d
BindingDB Entry DOI: 10.7270/Q2542PCH
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50171394
PNG
(2-Decyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | CH...)
Show SMILES CCCCCCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C15H25N5/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20/h11-12H,2-10H2,1H3,(H2,16,17,18,19)
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0.130n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine spleen Adenosine deaminase


J Med Chem 48: 5162-74 (2005)


Article DOI: 10.1021/jm050136d
BindingDB Entry DOI: 10.7270/Q2542PCH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253857
PNG
(CHEMBL460998 | N-butyl-2-(5-chloro-2-(4-chlorophen...)
Show SMILES CCCCN(C)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20Cl2N2O2/c1-3-4-11-25(2)21(27)20(26)18-16-12-15(23)9-10-17(16)24-19(18)13-5-7-14(22)8-6-13/h5-10,12,24H,3-4,11H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50318267
PNG
(4-methoxy-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]p...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2nn(C)cc12)-c1ccccc1
Show InChI InChI=1S/C20H17N5O2/c1-25-12-16-18(23-20(26)14-8-10-15(27-2)11-9-14)21-17(22-19(16)24-25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23,24,26)
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0.180n/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 cells


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253893
PNG
(2-(5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl)-N-me...)
Show SMILES CCCCCN(C)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-4-5-12-26(2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3
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0.180n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
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 A3 adenosine receptor expressed in CHO cell membrane


J Med Chem 55: 1490-9 (2012)


Article DOI: 10.1021/jm201177b
BindingDB Entry DOI: 10.7270/Q2CR5VCS
More data for this
Ligand-Target Pair
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 [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 5676-84 (2007)


Article DOI: 10.1021/jm0708376
BindingDB Entry DOI: 10.7270/Q2SJ1MFX
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253483
PNG
(CHEMBL492686 | N,N-dihexyl-2-(2-(4-nitrophenyl)-1H...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C28H35N3O4/c1-3-5-7-11-19-30(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)29-26(25)21-15-17-22(18-16-21)31(34)35/h9-10,13-18,29H,3-8,11-12,19-20H2,1-2H3
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0.230n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253344
PNG
(CHEMBL493301 | N,N-dibutyl-2-(2-(4-nitrophenyl)-1H...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H27N3O4/c1-3-5-15-26(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)25-22(21)17-11-13-18(14-12-17)27(30)31/h7-14,25H,3-6,15-16H2,1-2H3
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0.270n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50171396
PNG
(1-((R)-4-Amino-pyrazolo[3,4-d]pyrimidin-2-yl)-deca...)
Show SMILES CCCCCCCCC(O)Cn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)
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0.280n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine spleen Adenosine deaminase


J Med Chem 48: 5162-74 (2005)


Article DOI: 10.1021/jm050136d
BindingDB Entry DOI: 10.7270/Q2542PCH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104776
PNG
(CHEMBL3597377)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H26N2O2/c1-3-15-28(16-4-2)26(30)25(29)23-21-11-7-8-12-22(21)27-24(23)20-14-13-18-9-5-6-10-19(18)17-20/h5-14,17,27H,3-4,15-16H2,1-2H3
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0.310n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253894
PNG
(CHEMBL517895 | N-butyl-2-(5-chloro-2-(4-chlorophen...)
Show SMILES CCCCN(CC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-5-12-26(4-2)22(28)21(27)19-17-13-16(24)10-11-18(17)25-20(19)14-6-8-15(23)9-7-14/h6-11,13,25H,3-5,12H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104772
PNG
(CHEMBL3597381)
Show SMILES CCCCCN(C)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H26N2O2/c1-3-4-9-16-28(2)26(30)25(29)23-21-12-7-8-13-22(21)27-24(23)20-15-14-18-10-5-6-11-19(18)17-20/h5-8,10-15,17,27H,3-4,9,16H2,1-2H3
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0.370n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22038
PNG
(2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3
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0.370 -50.0n/an/an/an/an/a7.44



Universita di Pisa



Assay Description
Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...


J Med Chem 50: 404-7 (2007)


Article DOI: 10.1021/jm061137o
BindingDB Entry DOI: 10.7270/Q23J3B8X
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22038
PNG
(2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3
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0.370n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253595
PNG
(2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-12-18-31(19-13-8-6-4-2)28(33)27(32)25-23-20-22(29)16-17-24(23)30-26(25)21-14-10-9-11-15-21/h9-11,14-17,20,30H,3-8,12-13,18-19H2,1-2H3
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0.370n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50171395
PNG
(2-Undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | ...)
Show SMILES CCCCCCCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C16H27N5/c1-2-3-4-5-6-7-8-9-10-11-21-12-14-15(17)18-13-19-16(14)20-21/h12-13H,2-11H2,1H3,(H2,17,18,19,20)
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0.470n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine spleen Adenosine deaminase


J Med Chem 48: 5162-74 (2005)


Article DOI: 10.1021/jm050136d
BindingDB Entry DOI: 10.7270/Q2542PCH
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 cells


J Med Chem 50: 5676-84 (2007)


Article DOI: 10.1021/jm0708376
BindingDB Entry DOI: 10.7270/Q2SJ1MFX
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22041
PNG
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
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0.5 -49.3n/an/an/an/an/a7.44



Universita di Pisa



Assay Description
Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...


J Med Chem 50: 404-7 (2007)


Article DOI: 10.1021/jm061137o
BindingDB Entry DOI: 10.7270/Q23J3B8X
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 A1 adenosine receptor expressed in CHO cell membrane


J Med Chem 55: 1490-9 (2012)


Article DOI: 10.1021/jm201177b
BindingDB Entry DOI: 10.7270/Q2CR5VCS
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22041
PNG
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
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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]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104770
PNG
(CHEMBL3597383)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C29H24N2O2/c1-2-31(19-20-10-4-3-5-11-20)29(33)28(32)26-24-14-8-9-15-25(24)30-27(26)23-17-16-21-12-6-7-13-22(21)18-23/h3-18,30H,2,19H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104771
PNG
(CHEMBL3597382)
Show SMILES CCCCN(CC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H26N2O2/c1-3-5-16-28(4-2)26(30)25(29)23-21-12-8-9-13-22(21)27-24(23)20-15-14-18-10-6-7-11-19(18)17-20/h6-15,17,27H,3-5,16H2,1-2H3
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0.510n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104774
PNG
(CHEMBL3597379)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C32H38N2O2/c1-3-5-7-13-21-34(22-14-8-6-4-2)32(36)31(35)29-27-17-11-12-18-28(27)33-30(29)26-20-19-24-15-9-10-16-25(24)23-26/h9-12,15-20,23,33H,3-8,13-14,21-22H2,1-2H3
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0.520n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104779
PNG
(CHEMBL3597374)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O2/c1-3-18-30(19-4-2)28(32)27(31)25-23-12-8-9-13-24(23)29-26(25)22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-17,29H,3-4,18-19H2,1-2H3
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0.530n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104775
PNG
(CHEMBL3597378)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C28H30N2O2/c1-3-5-17-30(18-6-4-2)28(32)27(31)25-23-13-9-10-14-24(23)29-26(25)22-16-15-20-11-7-8-12-21(20)19-22/h7-16,19,29H,3-6,17-18H2,1-2H3
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0.540n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143231
PNG
(2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-N,N-dihexyl-...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35ClN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3
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0.550n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253715
PNG
(CHEMBL518662 | N-benzyl-N-ethyl-2-(2-(4-nitropheny...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H21N3O4/c1-2-27(16-17-8-4-3-5-9-17)25(30)24(29)22-20-10-6-7-11-21(20)26-23(22)18-12-14-19(15-13-18)28(31)32/h3-15,26H,2,16H2,1H3
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0.550n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104773
PNG
(CHEMBL3597380)
Show SMILES CCCCN(C)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H24N2O2/c1-3-4-15-27(2)25(29)24(28)22-20-11-7-8-12-21(20)26-23(22)19-14-13-17-9-5-6-10-18(17)16-19/h5-14,16,26H,3-4,15H2,1-2H3
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0.560n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50318268
PNG
(CHEMBL1096754 | N-(2-methyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
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0.600n/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 cells


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143232
PNG
(2-(5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl)-2-ox...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-11-26(12-4-2)22(28)21(27)19-17-13-16(24)9-10-18(17)25-20(19)14-5-7-15(23)8-6-14/h5-10,13,25H,3-4,11-12H2,1-2H3
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0.620n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143232
PNG
(2-(5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl)-2-ox...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-11-26(12-4-2)22(28)21(27)19-17-13-16(24)9-10-18(17)25-20(19)14-5-7-15(23)8-6-14/h5-10,13,25H,3-4,11-12H2,1-2H3
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0.620n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104780
PNG
(CHEMBL3597373)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccsc1
Show InChI InChI=1S/C26H34N2O2S/c1-3-5-7-11-16-28(17-12-8-6-4-2)26(30)25(29)23-21-13-9-10-14-22(21)27-24(23)20-15-18-31-19-20/h9-10,13-15,18-19,27H,3-8,11-12,16-17H2,1-2H3
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0.890n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253598
PNG
(2-(5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(F)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H34F2N2O2/c1-3-5-7-9-17-32(18-10-8-6-4-2)28(34)27(33)25-23-19-22(30)15-16-24(23)31-26(25)20-11-13-21(29)14-12-20/h11-16,19,31H,3-10,17-18H2,1-2H3
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0.950n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253309
PNG
(2-(2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo-N,N-dipr...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H23N3O4/c1-3-13-24(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)23-20(19)15-9-11-16(12-10-15)25(28)29/h5-12,23H,3-4,13-14H2,1-2H3
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0.950n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50410269
PNG
(CHEMBL1181766)
Show SMILES CCCCCCC(O)Cn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C13H21N5O/c1-2-3-4-5-6-10(19)7-18-8-11-12(14)15-9-16-13(11)17-18/h8-10,19H,2-7H2,1H3,(H2,14,15,16,17)
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1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine spleen Adenosine deaminase


J Med Chem 48: 5162-74 (2005)


Article DOI: 10.1021/jm050136d
BindingDB Entry DOI: 10.7270/Q2542PCH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253773
PNG
(CHEMBL462469 | N-benzyl-N-ethyl-2-oxo-2-(2-(4-(tri...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F3N2O2/c1-2-31(16-17-8-4-3-5-9-17)25(33)24(32)22-20-10-6-7-11-21(20)30-23(22)18-12-14-19(15-13-18)26(27,28)29/h3-15,30H,2,16H2,1H3
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1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143233
PNG
(CHEMBL292847 | N,N-Dibutyl-2-[2-(4-chloro-phenyl)-...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2O2/c1-3-5-15-27(16-6-4-2)24(29)23(28)21-19-9-7-8-10-20(19)26-22(21)17-11-13-18(25)14-12-17/h7-14,26H,3-6,15-16H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253486
PNG
(CHEMBL492290 | N,N-dihexyl-2-oxo-2-(2-(4-(trifluor...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N2O2/c1-3-5-7-11-19-34(20-12-8-6-4-2)28(36)27(35)25-23-13-9-10-14-24(23)33-26(25)21-15-17-22(18-16-21)29(30,31)32/h9-10,13-18,33H,3-8,11-12,19-20H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50224352
PNG
(4-methoxy-N-(1-oxo-2-p-tolyl-1H-3,3,5,9b-tetraaza-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(C)cc1)c2=O
Show InChI InChI=1S/C24H19N5O3/c1-15-7-9-16(10-8-15)21-23(31)28-20-6-4-3-5-19(20)25-24(29(28)27-21)26-22(30)17-11-13-18(32-2)14-12-17/h3-14H,1-2H3,(H,25,26,30)
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 5676-84 (2007)


Article DOI: 10.1021/jm0708376
BindingDB Entry DOI: 10.7270/Q2SJ1MFX
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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1.14n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine spleen Adenosine deaminase


J Med Chem 48: 5162-74 (2005)


Article DOI: 10.1021/jm050136d
BindingDB Entry DOI: 10.7270/Q2542PCH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253485
PNG
(CHEMBL492289 | N,N-dibutyl-2-oxo-2-(2-(4-(trifluor...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N2O2/c1-3-5-15-30(16-6-4-2)24(32)23(31)21-19-9-7-8-10-20(19)29-22(21)17-11-13-18(14-12-17)25(26,27)28/h7-14,29H,3-6,15-16H2,1-2H3
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1.16n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50104782
PNG
(CHEMBL3597371)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccsc1
Show InChI InChI=1S/C20H22N2O2S/c1-3-10-22(11-4-2)20(24)19(23)17-15-7-5-6-8-16(15)21-18(17)14-9-12-25-13-14/h5-9,12-13,21H,3-4,10-11H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes


J Med Chem 58: 6081-92 (2015)


BindingDB Entry DOI: 10.7270/Q20003WH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253681
PNG
(CHEMBL459313 | N-benzyl-2-(2-(4-chlorophenyl)-1H-i...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O2/c1-2-28(16-17-8-4-3-5-9-17)25(30)24(29)22-20-10-6-7-11-21(20)27-23(22)18-12-14-19(26)15-13-18/h3-15,27H,2,16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253776
PNG
(CHEMBL461416 | N-benzyl-N-ethyl-2-(5-fluoro-2-phen...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C25H21FN2O2/c1-2-28(16-17-9-5-3-6-10-17)25(30)24(29)22-20-15-19(26)13-14-21(20)27-23(22)18-11-7-4-8-12-18/h3-15,27H,2,16H2,1H3
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1.33n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143220
PNG
(CHEMBL294625 | N,N-Dihexyl-2-oxo-2-(2-phenyl-1H-in...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C28H36N2O2/c1-3-5-7-14-20-30(21-15-8-6-4-2)28(32)27(31)25-23-18-12-13-19-24(23)29-26(25)22-16-10-9-11-17-22/h9-13,16-19,29H,3-8,14-15,20-21H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143220
PNG
(CHEMBL294625 | N,N-Dihexyl-2-oxo-2-(2-phenyl-1H-in...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C28H36N2O2/c1-3-5-7-14-20-30(21-15-8-6-4-2)28(32)27(31)25-23-18-12-13-19-24(23)29-26(25)22-16-10-9-11-17-22/h9-13,16-19,29H,3-8,14-15,20-21H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50224355
PNG
(CHEMBL235513 | N-(8-chloro-1-oxo-2-phenyl-1H-3,3a,...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
Show InChI InChI=1S/C23H16ClN5O3/c1-32-17-10-7-15(8-11-17)21(30)26-23-25-18-12-9-16(24)13-19(18)28-22(31)20(27-29(23)28)14-5-3-2-4-6-14/h2-13H,1H3,(H,25,26,30)
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 5676-84 (2007)


Article DOI: 10.1021/jm0708376
BindingDB Entry DOI: 10.7270/Q2SJ1MFX
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143245
PNG
(CHEMBL55135 | N,N-Dihexyl-2-oxo-2-(2-p-tolyl-1H-in...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(C)cc1
Show InChI InChI=1S/C29H38N2O2/c1-4-6-8-12-20-31(21-13-9-7-5-2)29(33)28(32)26-24-14-10-11-15-25(24)30-27(26)23-18-16-22(3)17-19-23/h10-11,14-19,30H,4-9,12-13,20-21H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50253811
PNG
(CHEMBL517858 | N-benzyl-N-ethyl-2-(5-fluoro-2-(4-f...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccc(F)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20F2N2O2/c1-2-29(15-16-6-4-3-5-7-16)25(31)24(30)22-20-14-19(27)12-13-21(20)28-23(22)17-8-10-18(26)11-9-17/h3-14,28H,2,15H2,1H3
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1.67n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
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