Compile Data Set for Download or QSAR

Found 413 hits with Last Name = 'fisher' and Initial = 'c'   

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))	BDBM50527845 (CHEMBL4483546) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(Br)s1 |r| Show InChI InChI=1S/C26H24BrN5O4S/c1-36-18-10-13(2-5-17(18)33)8-9-28-25-21-26(31-20(30-25)7-4-14-3-6-19(27)37-14)32(12-29-21)22-15-11-16(15)23(34)24(22)35/h2-3,5-6,10,12,15-16,22-24,33-35H,8-9,11H2,1H3,(H,28,30,31)/t15-,16+,22+,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527839 (CHEMBL4573502) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1cccc(F)c1 |r| Show InChI InChI=1S/C28H26FN5O4/c1-38-21-12-16(5-7-20(21)35)9-10-30-27-23-28(33-22(32-27)8-6-15-3-2-4-17(29)11-15)34(14-31-23)24-18-13-19(18)25(36)26(24)37/h2-5,7,11-12,14,18-19,24-26,35-37H,9-10,13H2,1H3,(H,30,32,33)/t18-,19+,24+,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527834 (CHEMBL4465891) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1F |r| Show InChI InChI=1S/C28H26FN5O4/c1-38-21-12-15(6-8-20(21)35)10-11-30-27-23-28(33-22(32-27)9-7-16-4-2-3-5-19(16)29)34(14-31-23)24-17-13-18(17)25(36)26(24)37/h2-6,8,12,14,17-18,24-26,35-37H,10-11,13H2,1H3,(H,30,32,33)/t17-,18+,24+,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527840 (CHEMBL4442223) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C28H26FN5O4/c1-38-21-12-16(4-8-20(21)35)10-11-30-27-23-28(33-22(32-27)9-5-15-2-6-17(29)7-3-15)34(14-31-23)24-18-13-19(18)25(36)26(24)37/h2-4,6-8,12,14,18-19,24-26,35-37H,10-11,13H2,1H3,(H,30,32,33)/t18-,19+,24+,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527828 (CHEMBL4438591) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1cccnc1 |r| Show InChI InChI=1S/C27H26N6O4/c1-37-20-11-15(4-6-19(20)34)8-10-29-26-22-27(32-21(31-26)7-5-16-3-2-9-28-13-16)33(14-30-22)23-17-12-18(17)24(35)25(23)36/h2-4,6,9,11,13-14,17-18,23-25,34-36H,8,10,12H2,1H3,(H,29,31,32)/t17-,18+,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527838 (CHEMBL4591186) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-9-7-17(13-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527841 (CHEMBL4475372) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C25H22ClN5O2S/c26-18-8-6-15(34-18)7-9-19-29-24(27-11-10-14-4-2-1-3-5-14)20-25(30-19)31(13-28-20)21-16-12-17(16)22(32)23(21)33/h1-6,8,13,16-17,21-23,32-33H,10-12H2,(H,27,29,30)/t16-,17+,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527837 (CHEMBL4456051) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(F)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H24FN5O3/c28-19-12-16(6-8-20(19)34)10-11-29-26-22-27(32-21(31-26)9-7-15-4-2-1-3-5-15)33(14-30-22)23-17-13-18(17)24(35)25(23)36/h1-6,8,12,14,17-18,23-25,34-36H,10-11,13H2,(H,29,31,32)/t17-,18+,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527846 (CHEMBL4455589) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(I)nc12 |r| Show InChI InChI=1S/C20H22IN5O4/c1-30-13-6-9(2-3-12(13)27)4-5-22-18-14-19(25-20(21)24-18)26(8-23-14)15-10-7-11(10)16(28)17(15)29/h2-3,6,8,10-11,15-17,27-29H,4-5,7H2,1H3,(H,22,24,25)/t10-,11+,15+,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527830 (CHEMBL4476812) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C26H24ClN5O4S/c1-36-18-10-13(2-5-17(18)33)8-9-28-25-21-26(31-20(30-25)7-4-14-3-6-19(27)37-14)32(12-29-21)22-15-11-16(15)23(34)24(22)35/h2-3,5-6,10,12,15-16,22-24,33-35H,8-9,11H2,1H3,(H,28,30,31)/t15-,16+,22+,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527831 (CHEMBL4571380) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527833 (CHEMBL4459684) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H25F2N5O4/c1-39-21-11-15(3-6-20(21)36)8-9-31-27-23-28(35(13-32-23)24-16-12-17(16)25(37)26(24)38)34-22(33-27)7-4-14-2-5-18(29)19(30)10-14/h2-3,5-6,10-11,13,16-17,24-26,36-38H,8-9,12H2,1H3,(H,31,33,34)/t16-,17+,24+,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527847 (CHEMBL4561796) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(N)cc3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H26N6O2/c28-18-9-6-17(7-10-18)12-13-29-26-22-27(32-21(31-26)11-8-16-4-2-1-3-5-16)33(15-30-22)23-19-14-20(19)24(34)25(23)35/h1-7,9-10,15,19-20,23-25,34-35H,12-14,28H2,(H,29,31,32)/t19-,20+,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50076372 (1-[(S)-2-Oxo-1-pentafluorophenylmethyl-2-(4-pyridi...) Show SMILES Fc1c(F)c(F)c(C[C@H](NC(=O)Nc2nnc(S)s2)C(=O)N2CCN(CC2)c2ccccn2)c(F)c1F Show InChI InChI=1S/C21H18F5N7O2S2/c22-13-10(14(23)16(25)17(26)15(13)24)9-11(28-19(35)29-20-30-31-21(36)37-20)18(34)33-7-5-32(6-8-33)12-3-1-2-4-27-12/h1-4,11H,5-9H2,(H,31,36)(H2,28,29,30,35)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity for matrix metalloproteinase-3				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527832 (CHEMBL4453175) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C29H29N5O4/c1-37-21-10-8-18(14-22(21)38-2)12-13-30-28-24-29(33-23(32-28)11-9-17-6-4-3-5-7-17)34(16-31-24)25-19-15-20(19)26(35)27(25)36/h3-8,10,14,16,19-20,25-27,35-36H,12-13,15H2,1-2H3,(H,30,32,33)/t19-,20+,25+,26+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50076341 ((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...) Show SMILES CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity for matrix metalloproteinase-3				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Mus musculus)	BDBM50527831 (CHEMBL4571380) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50420427 (CHEMBL2089346) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H25N5O2/c33-24-20-15-19(20)23(25(24)34)32-16-29-22-26(28-14-13-18-9-5-2-6-10-18)30-21(31-27(22)32)12-11-17-7-3-1-4-8-17/h1-10,16,19-20,23-25,33-34H,13-15H2,(H,28,30,31)/t19-,20+,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527834 (CHEMBL4465891) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1F |r| Show InChI InChI=1S/C28H26FN5O4/c1-38-21-12-15(6-8-20(21)35)10-11-30-27-23-28(33-22(32-27)9-7-16-4-2-3-5-19(16)29)34(14-31-23)24-17-13-18(17)25(36)26(24)37/h2-6,8,12,14,17-18,24-26,35-37H,10-11,13H2,1H3,(H,30,32,33)/t17-,18+,24+,25+,26-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527845 (CHEMBL4483546) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(Br)s1 |r| Show InChI InChI=1S/C26H24BrN5O4S/c1-36-18-10-13(2-5-17(18)33)8-9-28-25-21-26(31-20(30-25)7-4-14-3-6-19(27)37-14)32(12-29-21)22-15-11-16(15)23(34)24(22)35/h2-3,5-6,10,12,15-16,22-24,33-35H,8-9,11H2,1H3,(H,28,30,31)/t15-,16+,22+,23+,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527835 (CHEMBL4562690) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(F)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H24FN5O2/c28-18-8-4-7-17(13-18)11-12-29-26-22-27(32-21(31-26)10-9-16-5-2-1-3-6-16)33(15-30-22)23-19-14-20(19)24(34)25(23)35/h1-8,13,15,19-20,23-25,34-35H,11-12,14H2,(H,29,31,32)/t19-,20+,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50420428 (CHEMBL2089347) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1Cl |r| Show InChI InChI=1S/C27H24ClN5O2/c28-20-9-5-4-8-17(20)10-11-21-31-26(29-13-12-16-6-2-1-3-7-16)22-27(32-21)33(15-30-22)23-18-14-19(18)24(34)25(23)35/h1-9,15,18-19,23-25,34-35H,12-14H2,(H,29,31,32)/t18-,19+,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527827 (CHEMBL4556534) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(O)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H25N5O4/c33-19-8-6-16(12-20(19)34)10-11-28-26-22-27(31-21(30-26)9-7-15-4-2-1-3-5-15)32(14-29-22)23-17-13-18(17)24(35)25(23)36/h1-6,8,12,14,17-18,23-25,33-36H,10-11,13H2,(H,28,30,31)/t17-,18+,23+,24+,25-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527842 (CHEMBL4519265) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(F)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C25H21ClFN5O2S/c26-18-6-4-15(35-18)5-7-19-30-24(28-9-8-13-2-1-3-14(27)10-13)20-25(31-19)32(12-29-20)21-16-11-17(16)22(33)23(21)34/h1-4,6,10,12,16-17,21-23,33-34H,8-9,11H2,(H,28,30,31)/t16-,17+,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527836 (CHEMBL4459700) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H25N5O3/c33-18-9-6-17(7-10-18)12-13-28-26-22-27(31-21(30-26)11-8-16-4-2-1-3-5-16)32(15-29-22)23-19-14-20(19)24(34)25(23)35/h1-7,9-10,15,19-20,23-25,33-35H,12-14H2,(H,28,30,31)/t19-,20+,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527848 (CHEMBL4521342) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(F)c(F)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C25H20ClF2N5O2S/c26-18-5-2-13(36-18)3-6-19-31-24(29-8-7-12-1-4-16(27)17(28)9-12)20-25(32-19)33(11-30-20)21-14-10-15(14)22(34)23(21)35/h1-2,4-5,9,11,14-15,21-23,34-35H,7-8,10H2,(H,29,31,32)/t14-,15+,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527827 (CHEMBL4556534) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(O)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H25N5O4/c33-19-8-6-16(12-20(19)34)10-11-28-26-22-27(31-21(30-26)9-7-15-4-2-1-3-5-15)32(14-29-22)23-17-13-18(17)24(35)25(23)36/h1-6,8,12,14,17-18,23-25,33-36H,10-11,13H2,(H,28,30,31)/t17-,18+,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50527843 (CHEMBL4537118) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C25H21Cl2N5O2S/c26-14-3-1-2-13(10-14)8-9-28-24-20-25(31-19(30-24)7-5-15-4-6-18(27)35-15)32(12-29-20)21-16-11-17(16)22(33)23(21)34/h1-4,6,10,12,16-17,21-23,33-34H,8-9,11H2,(H,28,30,31)/t16-,17+,21+,22+,23-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527840 (CHEMBL4442223) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C28H26FN5O4/c1-38-21-12-16(4-8-20(21)35)10-11-30-27-23-28(33-22(32-27)9-5-15-2-6-17(29)7-3-15)34(14-31-23)24-18-13-19(18)25(36)26(24)37/h2-4,6-8,12,14,18-19,24-26,35-37H,10-11,13H2,1H3,(H,30,32,33)/t18-,19+,24+,25+,26-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527826 (CHEMBL4437771) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(F)c3)nc(nc12)C#Cc1ccc(F)s1 |r| Show InChI InChI=1S/C25H21F2N5O2S/c26-14-3-1-2-13(10-14)8-9-28-24-20-25(31-19(30-24)7-5-15-4-6-18(27)35-15)32(12-29-20)21-16-11-17(16)22(33)23(21)34/h1-4,6,10,12,16-17,21-23,33-34H,8-9,11H2,(H,28,30,31)/t16-,17+,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527843 (CHEMBL4537118) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C25H21Cl2N5O2S/c26-14-3-1-2-13(10-14)8-9-28-24-20-25(31-19(30-24)7-5-15-4-6-18(27)35-15)32(12-29-20)21-16-11-17(16)22(33)23(21)34/h1-4,6,10,12,16-17,21-23,33-34H,8-9,11H2,(H,28,30,31)/t16-,17+,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527847 (CHEMBL4561796) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(N)cc3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H26N6O2/c28-18-9-6-17(7-10-18)12-13-29-26-22-27(32-21(31-26)11-8-16-4-2-1-3-5-16)33(15-30-22)23-19-14-20(19)24(34)25(23)35/h1-7,9-10,15,19-20,23-25,34-35H,12-14,28H2,(H,29,31,32)/t19-,20+,23+,24+,25-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527837 (CHEMBL4456051) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(F)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H24FN5O3/c28-19-12-16(6-8-20(19)34)10-11-29-26-22-27(32-21(31-26)9-7-15-4-2-1-3-5-15)33(14-30-22)23-17-13-18(17)24(35)25(23)36/h1-6,8,12,14,17-18,23-25,34-36H,10-11,13H2,(H,29,31,32)/t17-,18+,23+,24+,25-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527839 (CHEMBL4573502) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1cccc(F)c1 |r| Show InChI InChI=1S/C28H26FN5O4/c1-38-21-12-16(5-7-20(21)35)9-10-30-27-23-28(33-22(32-27)8-6-15-3-2-4-17(29)11-15)34(14-31-23)24-18-13-19(18)25(36)26(24)37/h2-5,7,11-12,14,18-19,24-26,35-37H,9-10,13H2,1H3,(H,30,32,33)/t18-,19+,24+,25+,26-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527830 (CHEMBL4476812) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C26H24ClN5O4S/c1-36-18-10-13(2-5-17(18)33)8-9-28-25-21-26(31-20(30-25)7-4-14-3-6-19(27)37-14)32(12-29-21)22-15-11-16(15)23(34)24(22)35/h2-3,5-6,10,12,15-16,22-24,33-35H,8-9,11H2,1H3,(H,28,30,31)/t15-,16+,22+,23+,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527833 (CHEMBL4459684) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H25F2N5O4/c1-39-21-11-15(3-6-20(21)36)8-9-31-27-23-28(35(13-32-23)24-16-12-17(16)25(37)26(24)38)34-22(33-27)7-4-14-2-5-18(29)19(30)10-14/h2-3,5-6,10-11,13,16-17,24-26,36-38H,8-9,12H2,1H3,(H,31,33,34)/t16-,17+,24+,25+,26-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527836 (CHEMBL4459700) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H25N5O3/c33-18-9-6-17(7-10-18)12-13-28-26-22-27(31-21(30-26)11-8-16-4-2-1-3-5-16)32(15-29-22)23-19-14-20(19)24(34)25(23)35/h1-7,9-10,15,19-20,23-25,33-35H,12-14H2,(H,28,30,31)/t19-,20+,23+,24+,25-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527829 (CHEMBL4448826) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C26H22ClN5O2S/c27-19-8-6-14(35-19)7-9-20-30-25(29-18-11-15(18)13-4-2-1-3-5-13)21-26(31-20)32(12-28-21)22-16-10-17(16)23(33)24(22)34/h1-6,8,12,15-18,22-24,33-34H,10-11H2,(H,29,30,31)/t15-,16+,17-,18+,22-,23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527846 (CHEMBL4455589) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(I)nc12 |r| Show InChI InChI=1S/C20H22IN5O4/c1-30-13-6-9(2-3-12(13)27)4-5-22-18-14-19(25-20(21)24-18)26(8-23-14)15-10-7-11(10)16(28)17(15)29/h2-3,6,8,10-11,15-17,27-29H,4-5,7H2,1H3,(H,22,24,25)/t10-,11+,15+,16+,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50076338 ((S)-3-(4-Fluoro-phenyl)-N-methyl-2-[3-(5-thioxo-4,...) Show SMILES CNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C13H14FN5O2S2/c1-15-10(20)9(6-7-2-4-8(14)5-3-7)16-11(21)17-12-18-19-13(22)23-12/h2-5,9H,6H2,1H3,(H,15,20)(H,19,22)(H2,16,17,18,21)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity for matrix metalloproteinase-3				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50527844 (CHEMBL4550711) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(C)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C26H24ClN5O2S/c1-14-3-2-4-15(11-14)9-10-28-25-21-26(31-20(30-25)8-6-16-5-7-19(27)35-16)32(13-29-21)22-17-12-18(17)23(33)24(22)34/h2-5,7,11,13,17-18,22-24,33-34H,9-10,12H2,1H3,(H,28,30,31)/t17-,18+,22+,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527838 (CHEMBL4591186) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-9-7-17(13-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50588805 (CHEMBL5170790) Show SMILES CCCC(CCC)c1nc2c(Nc3ccc(I)cc3)nc3ccccc3c2[nH]1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01170 BindingDB Entry DOI: 10.7270/Q2DZ0D8J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527828 (CHEMBL4438591) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1cccnc1 |r| Show InChI InChI=1S/C27H26N6O4/c1-37-20-11-15(4-6-19(20)34)8-10-29-26-22-27(32-21(31-26)7-5-16-3-2-9-28-13-16)33(14-30-22)23-17-12-18(17)24(35)25(23)36/h2-4,6,9,11,13-14,17-18,23-25,34-36H,8,10,12H2,1H3,(H,29,31,32)/t17-,18+,23+,24+,25-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50527834 (CHEMBL4465891) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1F |r| Show InChI InChI=1S/C28H26FN5O4/c1-38-21-12-15(6-8-20(21)35)10-11-30-27-23-28(33-22(32-27)9-7-16-4-2-3-5-19(16)29)34(14-31-23)24-17-13-18(17)25(36)26(24)37/h2-6,8,12,14,17-18,24-26,35-37H,10-11,13H2,1H3,(H,30,32,33)/t17-,18+,24+,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA from recombinant human A1AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting meth...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50527842 (CHEMBL4519265) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(F)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C25H21ClFN5O2S/c26-18-6-4-15(35-18)5-7-19-30-24(28-9-8-13-2-1-3-14(27)10-13)20-25(31-19)32(12-29-20)21-16-11-17(16)22(33)23(21)34/h1-4,6,10,12,16-17,21-23,33-34H,8-9,11H2,(H,28,30,31)/t16-,17+,21+,22+,23-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50527832 (CHEMBL4453175) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C29H29N5O4/c1-37-21-10-8-18(14-22(21)38-2)12-13-30-28-24-29(33-23(32-28)11-9-17-6-4-3-5-7-17)34(16-31-24)25-19-15-20(19)26(35)27(25)36/h3-8,10,14,16,19-20,25-27,35-36H,12-13,15H2,1-2H3,(H,30,32,33)/t19-,20+,25+,26+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA from recombinant human A1AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting meth...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527835 (CHEMBL4562690) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(F)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H24FN5O2/c28-18-8-4-7-17(13-18)11-12-29-26-22-27(32-21(31-26)10-9-16-5-2-1-3-6-16)33(15-30-22)23-19-14-20(19)24(34)25(23)35/h1-8,13,15,19-20,23-25,34-35H,11-12,14H2,(H,29,31,32)/t19-,20+,23+,24+,25-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	264	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235 BindingDB Entry DOI: 10.7270/Q2JS9TWH
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50076367 (1-[(S)-1-(4-Fluoro-benzyl)-2-oxo-2-(4-pyridin-2-yl...) Show SMILES Fc1ccc(C[C@H](NC(=O)Nc2nnc(S)s2)C(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C21H22FN7O2S2/c22-15-6-4-14(5-7-15)13-16(24-19(31)25-20-26-27-21(32)33-20)18(30)29-11-9-28(10-12-29)17-3-1-2-8-23-17/h1-8,16H,9-13H2,(H,27,32)(H2,24,25,26,31)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity for matrix metalloproteinase-3				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50076357 ((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C13H14N4O3S2/c1-20-10(18)9(7-8-5-3-2-4-6-8)14-11(19)15-12-16-17-13(21)22-12/h2-6,9H,7H2,1H3,(H,17,21)(H2,14,15,16,19)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity for matrix metalloproteinase-3				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
					More data for this Ligand-Target Pair

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