Compile Data Set for Download or QSAR

Found 1194 hits with Last Name = 'di maro' and Initial = 's'   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50117108 (4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					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))	BDBM85618 (CHEMBL302765 | J1.251.181G | MRE 3008F20) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348154 (CHEMBL1800783) Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C |r| Show InChI InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50517320 (CHEMBL4568153) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)60-48(69)40-27-75-74-26-39(58-44(65)34(53)24-42(63)64)47(68)57-38(22-29-11-5-4-6-12-29)50(71)61(3)41(23-31-25-54-35-14-8-7-13-33(31)35)49(70)55-36(15-9-10-20-52)45(66)56-37(46(67)59-40)21-30-16-18-32(62)19-17-30/h4-8,11-14,16-19,25,28,34,36-41,43,54,62H,9-10,15,20-24,26-27,52-53H2,1-3H3,(H,55,70)(H,56,66)(H,57,68)(H,58,65)(H,59,67)(H,60,69)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50517327 (CHEMBL4472928) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H66N10O10S2/c1-28(2)42(50(69)70)59-47(66)40-26-71-72-27-41(60(4)49(68)29(3)52)48(67)57-38(22-30-12-6-5-7-13-30)44(63)56-39(24-32-25-53-35-15-9-8-14-34(32)35)46(65)54-36(16-10-11-21-51)43(62)55-37(45(64)58-40)23-31-17-19-33(61)20-18-31/h5-9,12-15,17-20,25,28-29,36-42,53,61H,10-11,16,21-24,26-27,51-52H2,1-4H3,(H,54,65)(H,55,62)(H,56,63)(H,57,67)(H,58,64)(H,59,66)(H,69,70)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348163 (CHEMBL1800862) Show SMILES CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)no1 Show InChI InChI=1S/C16H18N6O3/c1-4-6-21-15-12(14-17-9(5-2)8-22(14)16(21)23)18-13(19-15)10-7-11(24-3)20-25-10/h4,7,9,17H,1,5-6,8H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348153 (CHEMBL1800782) Show SMILES CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C Show InChI InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50517312 (CHEMBL4526244) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H66N10O10S2/c1-28(2)42(50(69)70)59-47(66)40-27-72-71-26-39(57-43(62)29(3)52)46(65)56-38(23-30-12-6-5-7-13-30)49(68)60(4)41(24-32-25-53-35-15-9-8-14-34(32)35)48(67)54-36(16-10-11-21-51)44(63)55-37(45(64)58-40)22-31-17-19-33(61)20-18-31/h5-9,12-15,17-20,25,28-29,36-42,53,61H,10-11,16,21-24,26-27,51-52H2,1-4H3,(H,54,67)(H,55,63)(H,56,65)(H,57,62)(H,58,64)(H,59,66)(H,69,70)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348174 (CHEMBL1625681) Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,17H,3,9H2,1-2H3/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity to human recombinant A3 adenosine receptor by radioligand binding assay				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348152 (CHEMBL1800781) Show SMILES COc1cc(-c2nc3c4NC(C)Cn4c(=O)n(CC=C)c3n2)n(C)n1 Show InChI InChI=1S/C16H19N7O2/c1-5-6-22-15-12(14-17-9(2)8-23(14)16(22)24)18-13(19-15)10-7-11(25-4)20-21(10)3/h5,7,9,17H,1,6,8H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348155 (CHEMBL1800784) Show SMILES CC[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C |r| Show InChI InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348157 (CHEMBL1800786) Show SMILES COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4C[C@@H](C)N=C4c3[nH]2)n(C)n1 |r,c:23| Show InChI InChI=1S/C20H21N7O2/c1-12-10-26-18(21-12)16-19(27(20(26)28)11-13-7-5-4-6-8-13)23-17(22-16)14-9-15(29-3)24-25(14)2/h4-9,12H,10-11H2,1-3H3,(H,22,23)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348158 (CHEMBL1800787) Show SMILES COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4C[C@H](C)N=C4c3[nH]2)n(C)n1 |r,c:23| Show InChI InChI=1S/C20H21N7O2/c1-12-10-26-18(21-12)16-19(27(20(26)28)11-13-7-5-4-6-8-13)23-17(22-16)14-9-15(29-3)24-25(14)2/h4-9,12H,10-11H2,1-3H3,(H,22,23)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348164 (CHEMBL1800863) Show SMILES COc1cc(on1)-c1nc2N(Cc3ccccc3)C(=O)N3CC(C)N=C3c2[nH]1 |c:26| Show InChI InChI=1S/C19H18N6O3/c1-11-9-24-17(20-11)15-18(22-16(21-15)13-8-14(27-2)23-28-13)25(19(24)26)10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348165 (CHEMBL1800864) Show SMILES CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OC)no1 |c:5| Show InChI InChI=1S/C20H20N6O3/c1-3-13-11-26-18(21-13)16-19(23-17(22-16)14-9-15(28-2)24-29-14)25(20(26)27)10-12-7-5-4-6-8-12/h4-9,13H,3,10-11H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50517325 (CHEMBL4590360) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)60-48(69)40-26-74-75-27-41(61(3)50(71)34(53)24-42(63)64)49(70)58-38(21-29-11-5-4-6-12-29)45(66)57-39(23-31-25-54-35-14-8-7-13-33(31)35)47(68)55-36(15-9-10-20-52)44(65)56-37(46(67)59-40)22-30-16-18-32(62)19-17-30/h4-8,11-14,16-19,25,28,34,36-41,43,54,62H,9-10,15,20-24,26-27,52-53H2,1-3H3,(H,55,68)(H,56,65)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348147 (CHEMBL1800736) Show SMILES CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C Show InChI InChI=1S/C17H21N7O/c1-5-7-23-16-13(15-18-11(6-2)9-24(15)17(23)25)19-14(20-16)12-8-10(3)21-22(12)4/h5,8,11,18H,1,6-7,9H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348156 (CHEMBL1800785) Show SMILES COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4CC(C)N=C4c3[nH]2)n(C)n1 |c:23| Show InChI InChI=1S/C20H21N7O2/c1-12-10-26-18(21-12)16-19(27(20(26)28)11-13-7-5-4-6-8-13)23-17(22-16)14-9-15(29-3)24-25(14)2/h4-9,12H,10-11H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50517315 (CHEMBL4454498) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(O)=O |r| Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)60-49(70)41-27-75-74-26-40(59-44(65)34(53)24-42(63)64)48(69)56-37(21-29-11-5-4-6-12-29)46(67)57-38(23-31-25-54-35-14-8-7-13-33(31)35)47(68)55-36(15-9-10-20-52)45(66)58-39(50(71)61(41)3)22-30-16-18-32(62)19-17-30/h4-8,11-14,16-19,25,28,34,36-41,43,54,62H,9-10,15,20-24,26-27,52-53H2,1-3H3,(H,55,68)(H,56,69)(H,57,67)(H,58,66)(H,59,65)(H,60,70)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50517316 (CHEMBL4462940) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(O)=O |r| Show InChI InChI=1S/C50H66N10O10S2/c1-28(2)42(50(69)70)59-48(67)41-27-72-71-26-40(58-43(62)29(3)52)47(66)55-37(22-30-12-6-5-7-13-30)45(64)56-38(24-32-25-53-35-15-9-8-14-34(32)35)46(65)54-36(16-10-11-21-51)44(63)57-39(49(68)60(41)4)23-31-17-19-33(61)20-18-31/h5-9,12-15,17-20,25,28-29,36-42,53,61H,10-11,16,21-24,26-27,51-52H2,1-4H3,(H,54,65)(H,55,66)(H,56,64)(H,57,63)(H,58,62)(H,59,67)(H,69,70)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348162 (CHEMBL1800861) Show SMILES COc1cc(on1)-c1nc2c3NC(C)Cn3c(=O)n(CC=C)c2n1 Show InChI InChI=1S/C15H16N6O3/c1-4-5-20-14-11(13-16-8(2)7-21(13)15(20)22)17-12(18-14)9-6-10(23-3)19-24-9/h4,6,8,16H,1,5,7H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50180870 (CHEMBL179861) Show SMILES CCC(C)NC(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C20H19ClN2O/c1-3-13(2)22-20(24)18-12-14-8-4-5-9-15(14)19(23-18)16-10-6-7-11-17(16)21/h4-13H,3H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method				J Med Chem 59: 4526-38 (2016) Article DOI: 10.1021/acs.jmedchem.5b01767 BindingDB Entry DOI: 10.7270/Q2NV9M6P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348159 (CHEMBL1800788) Show SMILES CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OC)nn1C |c:5| Show InChI InChI=1S/C21H23N7O2/c1-4-14-12-28-19(22-14)17-20(27(21(28)29)11-13-8-6-5-7-9-13)24-18(23-17)15-10-16(30-3)25-26(15)2/h5-10,14H,4,11-12H2,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389894 (CHEMBL2071048) Show SMILES Cc1ccc(CNC(=O)N2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C26H28N10O3/c1-16-5-7-17(8-6-16)14-27-26(38)35-11-9-18(10-12-35)28-25(37)31-24-30-21-19(15-34(2)32-21)23-29-22(33-36(23)24)20-4-3-13-39-20/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,27,38)(H2,28,30,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348144 (CHEMBL1800733) Show SMILES CC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C Show InChI InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-10(3)8-23(14)16(22)24)18-13(19-15)11-7-9(2)20-21(11)4/h5,7,10,17H,1,6,8H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50320463 (CHEMBL218994 | D[CFWKYC]V | H-Asp-Cys-Phe-Trp-Lys-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389920 (CHEMBL2071046) Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C25H25FN10O3/c1-34-14-18-20(32-34)30-23(36-22(18)29-21(33-36)19-3-2-12-39-19)31-24(37)28-17-8-10-35(11-9-17)25(38)27-13-15-4-6-16(26)7-5-15/h2-7,12,14,17H,8-11,13H2,1H3,(H,27,38)(H2,28,30,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348145 (CHEMBL1800734) Show SMILES C[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C |r| Show InChI InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-10(3)8-23(14)16(22)24)18-13(19-15)11-7-9(2)20-21(11)4/h5,7,10,17H,1,6,8H2,2-4H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348146 (CHEMBL1800735) Show SMILES C[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C |r| Show InChI InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-10(3)8-23(14)16(22)24)18-13(19-15)11-7-9(2)20-21(11)4/h5,7,10,17H,1,6,8H2,2-4H3/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50445383 (CHEMBL3104471) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C49H64N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h4-8,11-14,16-19,24,27-28,35-41,52,60H,9-10,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)/t28-,35-,36-,37-,38-,39-,40-,41-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389918 (CHEMBL2069325) Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCCc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C26H28N10O3/c1-34-16-19-21(32-34)30-24(36-23(19)29-22(33-36)20-8-5-15-39-20)31-25(37)28-18-10-13-35(14-11-18)26(38)27-12-9-17-6-3-2-4-7-17/h2-8,15-16,18H,9-14H2,1H3,(H,27,38)(H2,28,30,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389916 (CHEMBL2071043) Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCCCC1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C25H32N10O3/c1-33-15-18-20(31-33)29-23(35-22(18)28-21(32-35)19-9-6-14-38-19)30-24(36)26-17-10-12-34(13-11-17)25(37)27-16-7-4-2-3-5-8-16/h6,9,14-17H,2-5,7-8,10-13H2,1H3,(H,27,37)(H2,26,29,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50517314 (Urotensin-II) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C64H85N13O18S2/c1-33(2)52(64(94)95)75-61(91)48-32-97-96-31-47(73-59(89)46(29-51(82)83)72-62(92)49-17-11-25-77(49)63(93)53(34(3)78)76-54(84)40(66)22-23-50(80)81)60(90)70-43(26-35-12-5-4-6-13-35)56(86)71-45(28-37-30-67-41-15-8-7-14-39(37)41)58(88)68-42(16-9-10-24-65)55(85)69-44(57(87)74-48)27-36-18-20-38(79)21-19-36/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79H,9-11,16-17,22-29,31-32,65-66H2,1-3H3,(H,68,88)(H,69,85)(H,70,90)(H,71,86)(H,72,92)(H,73,89)(H,74,87)(H,75,91)(H,76,84)(H,80,81)(H,82,83)(H,94,95)/t34-,40+,42+,43+,44+,45+,46+,47+,48+,49+,52+,53+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601 BindingDB Entry DOI: 10.7270/Q2PV6PRV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389917 (CHEMBL2071044) Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C25H26N10O3/c1-33-15-18-20(31-33)29-23(35-22(18)28-21(32-35)19-8-5-13-38-19)30-24(36)27-17-9-11-34(12-10-17)25(37)26-14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,26,37)(H2,27,29,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348172 (CHEMBL1800796) Show SMILES C[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-9(2)8-23(14)16(22)24)18-13(19-15)11-7-10(3)21(4)20-11/h5,7,9,17H,1,6,8H2,2-4H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389914 (CHEMBL2071041) Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCC1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C23H28N10O3/c1-31-13-16-18(29-31)27-21(33-20(16)26-19(30-33)17-7-4-12-36-17)28-22(34)24-15-8-10-32(11-9-15)23(35)25-14-5-2-3-6-14/h4,7,12-15H,2-3,5-6,8-11H2,1H3,(H,25,35)(H2,24,27,28,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389902 (CHEMBL2070885) Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC3CCCCC3)CC1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C24H31N9O2/c1-31-15-18-20(29-31)27-23(33-22(18)26-21(30-33)19-8-5-13-35-19)28-24(34)25-17-9-11-32(12-10-17)14-16-6-3-2-4-7-16/h5,8,13,15-17H,2-4,6-7,9-12,14H2,1H3,(H2,25,27,28,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389913 (CHEMBL2071040) Show SMILES CC(C)NC(=O)N1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H26N10O3/c1-12(2)22-21(33)30-8-6-13(7-9-30)23-20(32)26-19-25-16-14(11-29(3)27-16)18-24-17(28-31(18)19)15-5-4-10-34-15/h4-5,10-13H,6-9H2,1-3H3,(H,22,33)(H2,23,25,26,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389895 (CHEMBL2071049) Show SMILES COc1ccc(CNC(=O)N2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C26H28N10O4/c1-34-15-19-21(32-34)30-24(36-23(19)29-22(33-36)20-4-3-13-40-20)31-25(37)28-17-9-11-35(12-10-17)26(38)27-14-16-5-7-18(39-2)8-6-16/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,27,38)(H2,28,30,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348149 (CHEMBL1800738) Show SMILES CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C |c:5| Show InChI InChI=1S/C21H23N7O/c1-4-15-12-28-19(22-15)17-20(24-18(23-17)16-10-13(2)25-26(16)3)27(21(28)29)11-14-8-6-5-7-9-14/h5-10,15H,4,11-12H2,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389911 (CHEMBL2071038) Show SMILES CCOC(=O)CN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H25N9O4/c1-3-33-16(31)12-29-8-6-13(7-9-29)22-21(32)25-20-24-17-14(11-28(2)26-17)19-23-18(27-30(19)20)15-5-4-10-34-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H2,22,24,25,26,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389908 (CHEMBL2070891) Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(cc3)C#N)CC1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C25H24N10O2/c1-33-15-19-21(31-33)29-24(35-23(19)28-22(32-35)20-3-2-12-37-20)30-25(36)27-18-8-10-34(11-9-18)14-17-6-4-16(13-26)5-7-17/h2-7,12,15,18H,8-11,14H2,1H3,(H2,27,29,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389909 (CHEMBL2070892) Show SMILES Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(cc3)[N+]([O-])=O)CC1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C24H24N10O4/c1-31-14-18-20(29-31)27-23(33-22(18)26-21(30-33)19-3-2-12-38-19)28-24(35)25-16-8-10-32(11-9-16)13-15-4-6-17(7-5-15)34(36)37/h2-7,12,14,16H,8-11,13H2,1H3,(H2,25,27,28,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348171 (CHEMBL1800795) Show SMILES C[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-9(2)8-23(14)16(22)24)18-13(19-15)11-7-10(3)21(4)20-11/h5,7,9,17H,1,6,8H2,2-4H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348173 (CHEMBL1800797) Show SMILES CC1Cn2c(N1)c1nc(nc1n(Cc1ccccc1)c2=O)-c1cc(C)n(C)n1 Show InChI InChI=1S/C20H21N7O/c1-12-10-26-18(21-12)16-19(23-17(22-16)15-9-13(2)25(3)24-15)27(20(26)28)11-14-7-5-4-6-8-14/h4-9,12,21H,10-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348170 (CHEMBL1800794) Show SMILES CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 Show InChI InChI=1S/C17H21N7O/c1-5-7-23-16-13(15-18-11(6-2)9-24(15)17(23)25)19-14(20-16)12-8-10(3)22(4)21-12/h5,8,11,18H,1,6-7,9H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348150 (CHEMBL1800739) Show SMILES CC[C@@H]1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C |r,c:5| Show InChI InChI=1S/C21H23N7O/c1-4-15-12-28-19(22-15)17-20(24-18(23-17)16-10-13(2)25-26(16)3)27(21(28)29)11-14-8-6-5-7-9-14/h5-10,15H,4,11-12H2,1-3H3,(H,23,24)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50389907 (CHEMBL2070890) Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C25H27N9O3/c1-32-15-19-21(30-32)28-24(34-23(19)27-22(31-34)20-4-3-13-37-20)29-25(35)26-17-9-11-33(12-10-17)14-16-5-7-18(36-2)8-6-16/h3-8,13,15,17H,9-12,14H2,1-2H3,(H2,26,28,29,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter				J Med Chem 55: 5380-90 (2012) Article DOI: 10.1021/jm300323t BindingDB Entry DOI: 10.7270/Q2CN7509
					More data for this Ligand-Target Pair

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