Compile Data Set for Download or QSAR

Found 897 hits with Last Name = 'cosimelli' and Initial = 'b'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Translocator protein (Rattus norvegicus (rat))	BDBM50253857 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50253893 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM198126 ((2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methyla...) Show SMILES CNC(=O)C1OC(C(O)C1O)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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.220	-55.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21221 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 receptor A3 (Homo sapiens (Human))	BDBM21221 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM21221 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Napoli					Assay Description The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...				J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50253483 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50253344 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50104776 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50253894 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50104772 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50253595 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM22038 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	-50.0	n/a	n/a	n/a	n/a	n/a	7.4	4
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
Translocator protein (Rattus norvegicus (rat))	BDBM22041 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 A1 (Homo sapiens (Human))	BDBM21173 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21216 (2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...) Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1 Show InChI InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22041 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	-49.3	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 A1 (Homo sapiens (Human))	BDBM21216 (2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...) Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1 Show InChI InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita di Napoli					Assay Description The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...				J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita di Napoli					Assay Description The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...				J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50104771 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50104770 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50104774 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50104779 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50104775 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50253715 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50104773 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50318268 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50143232 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50104780 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50253598 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50253309 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50253486 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50253773 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50253485 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50104782 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b00689 BindingDB Entry DOI: 10.7270/Q20003WH
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50253681 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50253776 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50143220 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM21237 (2-mercaptopyrimidine analogue, 5p | N-[6-(2-phenyl...) Show SMILES CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1 Show InChI InChI=1S/C17H21N3O2S/c1-3-11-23-17-19-15(18-13(2)21)12-16(20-17)22-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	1.25	n/a	n/a	n/a	n/a
Universita di Napoli					Assay Description The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...				J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50224355 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50253811 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50253680 (CHEMBL462491 | N-benzyl-N-ethyl-2-(2-(4-fluorophen...) Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H21FN2O2/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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Translocator protein (Rattus norvegicus (rat))	BDBM50253484 (2-oxo-N,N-dipropyl-2-(2-(4-(trifluoromethyl)phenyl...) Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H23F3N2O2/c1-3-13-28(14-4-2)22(30)21(29)19-17-7-5-6-8-18(17)27-20(19)15-9-11-16(12-10-15)23(24,25)26/h5-12,27H,3-4,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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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