Compile Data Set for Download or QSAR

Found 365 hits with Last Name = 'koomen' and Initial = 'j'   

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 A1 (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement.				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451102 (CHEMBL2113491) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C18H18IN5O6/c19-10-3-1-2-9(4-10)6-20-11-5-13(24(28)29)22-17-14(11)21-8-23(17)18-16(27)15(26)12(7-25)30-18/h1-5,8,12,15-16,18,25-27H,6-7H2,(H,20,22)/t12-,15-,16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [125 I]-IABMECA binding to human adenosine A3 receptor				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement.				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451105 (CHEMBL2113488) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C17H17IN6O6/c18-9-3-1-2-8(4-9)5-19-14-11-15(22-17(21-14)24(28)29)23(7-20-11)16-13(27)12(26)10(6-25)30-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50370303 (CHEMBL605486) Show SMILES Nc1nc(N=NNC(=O)Nc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5| Show InChI InChI=1S/C17H18ClN9O5/c18-7-2-1-3-8(4-7)21-17(31)25-26-24-16-22-13(19)10-14(23-16)27(6-20-10)15-12(30)11(29)9(5-28)32-15/h1-4,6,9,11-12,15,28-30H,5H2,(H4,19,21,22,23,24,25,31)/t9-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement.				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50088422 ((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451106 (CHEMBL2113495) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C11H14N6O7/c1-23-15-8-5-9(14-11(13-8)17(21)22)16(3-12-5)10-7(20)6(19)4(2-18)24-10/h3-4,6-7,10,18-20H,2H2,1H3,(H,13,14,15)/t4-,6-,7-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451103 (CHEMBL2113490) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C15H20N6O6/c22-5-8-10(23)11(24)14(27-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(21(25)26)19-13(9)20/h6-8,10-11,14,22-24H,1-5H2,(H,17,18,19)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451107 (CHEMBL2113494) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C16H21N5O6/c22-6-10-13(23)14(24)16(27-10)20-7-17-12-9(18-8-3-1-2-4-8)5-11(21(25)26)19-15(12)20/h5,7-8,10,13-14,16,22-24H,1-4,6H2,(H,18,19)/t10-,13-,14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50370303 (CHEMBL605486) Show SMILES Nc1nc(N=NNC(=O)Nc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5| Show InChI InChI=1S/C17H18ClN9O5/c18-7-2-1-3-8(4-7)21-17(31)25-26-24-16-22-13(19)10-14(23-16)27(6-20-10)15-12(30)11(29)9(5-28)32-15/h1-4,6,9,11-12,15,28-30H,5H2,(H4,19,21,22,23,24,25,31)/t9-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity for human Adenosine A3 receptor using [125 I]-IABMECA				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Tested for binding affinity towards human adenosine A2A receptor using [3H]ZM-241385 as radioligand				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50088422 ((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50366652 (CHEMBL610646) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nccc12 |r| Show InChI InChI=1S/C16H22N4O4/c21-7-11-13(22)14(23)16(24-11)20-8-18-12-10(20)5-6-17-15(12)19-9-3-1-2-4-9/h5-6,8-9,11,13-14,16,21-23H,1-4,7H2,(H,17,19)/t11-,13-,14-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451102 (CHEMBL2113491) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C18H18IN5O6/c19-10-3-1-2-9(4-10)6-20-11-5-13(24(28)29)22-17-14(11)21-8-23(17)18-16(27)15(26)12(7-25)30-18/h1-5,8,12,15-16,18,25-27H,6-7H2,(H,20,22)/t12-,15-,16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451105 (CHEMBL2113488) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C17H17IN6O6/c18-9-3-1-2-8(4-9)5-19-14-11-15(22-17(21-14)24(28)29)23(7-20-11)16-13(27)12(26)10(6-25)30-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451104 (CHEMBL2113487) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C17H18N6O6/c24-7-10-12(25)13(26)16(29-10)22-8-19-11-14(18-6-9-4-2-1-3-5-9)20-17(23(27)28)21-15(11)22/h1-5,8,10,12-13,16,24-26H,6-7H2,(H,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451108 (CHEMBL2113493) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C10H12N6O6/c11-7-4-8(14-10(13-7)16(20)21)15(2-12-4)9-6(19)5(18)3(1-17)22-9/h2-3,5-6,9,17-19H,1H2,(H2,11,13,14)/t3-,5-,6-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	202	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50451102 (CHEMBL2113491) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C18H18IN5O6/c19-10-3-1-2-9(4-10)6-20-11-5-13(24(28)29)22-17-14(11)21-8-23(17)18-16(27)15(26)12(7-25)30-18/h1-5,8,12,15-16,18,25-27H,6-7H2,(H,20,22)/t12-,15-,16-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451101 (CHEMBL2113502) Show SMILES Nc1cc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C11H13N5O6/c12-4-1-6(16(20)21)14-10-7(4)13-3-15(10)11-9(19)8(18)5(2-17)22-11/h1,3,5,8-9,11,17-19H,2H2,(H2,12,14)/t5-,8-,9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	216	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451103 (CHEMBL2113490) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C15H20N6O6/c22-5-8-10(23)11(24)14(27-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(21(25)26)19-13(9)20/h6-8,10-11,14,22-24H,1-5H2,(H,17,18,19)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	222	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [125 I]-IABMECA binding to human adenosine A3 receptor				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50451108 (CHEMBL2113493) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C10H12N6O6/c11-7-4-8(14-10(13-7)16(20)21)15(2-12-4)9-6(19)5(18)3(1-17)22-9/h2-3,5-6,9,17-19H,1H2,(H2,11,13,14)/t3-,5-,6-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50088422 ((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50451107 (CHEMBL2113494) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C16H21N5O6/c22-6-10-13(23)14(24)16(27-10)20-7-17-12-9(18-8-3-1-2-4-8)5-11(21(25)26)19-15(12)20/h5,7-8,10,13-14,16,22-24H,1-4,6H2,(H,18,19)/t10-,13-,14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451108 (CHEMBL2113493) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C10H12N6O6/c11-7-4-8(14-10(13-7)16(20)21)15(2-12-4)9-6(19)5(18)3(1-17)22-9/h2-3,5-6,9,17-19H,1H2,(H2,11,13,14)/t3-,5-,6-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	344	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50451101 (CHEMBL2113502) Show SMILES Nc1cc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C11H13N5O6/c12-4-1-6(16(20)21)14-10-7(4)13-3-15(10)11-9(19)8(18)5(2-17)22-11/h1,3,5,8-9,11,17-19H,2H2,(H2,12,14)/t5-,8-,9-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50370311 (CHEMBL603394) Show SMILES Nc1nc(NN=NC(=O)Oc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:6.6| Show InChI InChI=1S/C17H18N8O6/c18-13-10-14(25(7-19-10)15-12(28)11(27)9(6-26)31-15)21-16(20-13)22-24-23-17(29)30-8-4-2-1-3-5-8/h1-5,7,9,11-12,15,26-28H,6H2,(H3,18,20,21,22,23,29)/t9-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	577	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [125 I]-IABMECA binding to human adenosine A3 receptor				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	639	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Tested for binding affinity towards human adenosine A2A receptor using [3H]ZM-241385 as radioligand				J Med Chem 46: 1492-503 (2003) Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451101 (CHEMBL2113502) Show SMILES Nc1cc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C11H13N5O6/c12-4-1-6(16(20)21)14-10-7(4)13-3-15(10)11-9(19)8(18)5(2-17)22-11/h1,3,5,8-9,11,17-19H,2H2,(H2,12,14)/t5-,8-,9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451106 (CHEMBL2113495) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r| Show InChI InChI=1S/C11H14N6O7/c1-23-15-8-5-9(14-11(13-8)17(21)22)16(3-12-5)10-7(20)6(19)4(2-18)24-10/h3-4,6-7,10,18-20H,2H2,1H3,(H,13,14,15)/t4-,6-,7-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50451104 (CHEMBL2113487) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C17H18N6O6/c24-7-10-12(25)13(26)16(29-10)22-8-19-11-14(18-6-9-4-2-1-3-5-9)20-17(23(27)28)21-15(11)22/h1-5,8,10,12-13,16,24-26H,6-7H2,(H,18,20,21)/t10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50451105 (CHEMBL2113488) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C17H17IN6O6/c18-9-3-1-2-8(4-9)5-19-14-11-15(22-17(21-14)24(28)29)23(7-20-11)16-13(27)12(26)10(6-25)30-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50451103 (CHEMBL2113490) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O |r| Show InChI InChI=1S/C15H20N6O6/c22-5-8-10(23)11(24)14(27-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(21(25)26)19-13(9)20/h6-8,10-11,14,22-24H,1-5H2,(H,17,18,19)/t8-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50366652 (CHEMBL610646) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nccc12 |r| Show InChI InChI=1S/C16H22N4O4/c21-7-11-13(22)14(23)16(24-11)20-8-18-12-10(20)5-6-17-15(12)19-9-3-1-2-4-9/h5-6,8-9,11,13-14,16,21-23H,1-4,7H2,(H,17,19)/t11-,13-,14-,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Amsterdam Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385				Bioorg Med Chem Lett 10: 2141-4 (2000) BindingDB Entry DOI: 10.7270/Q2XP75GW
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028244 (CHEMBL3354627) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028179 (CHEMBL3354624) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r| Show InChI InChI=1S/C24H32FNO5/c25-20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028180 (CHEMBL3354625) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C24H32FNO5/c25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028254 (CHEMBL3354634) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r| Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028255 (CHEMBL3354635) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028181 (CHEMBL3354626) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r| Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028256 (CHEMBL3354636) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r| Show InChI InChI=1S/C24H32FNO5/c25-20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028221 (CHEMBL3354041) Show SMILES Cc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r| Show InChI InChI=1S/C25H35NO5/c1-18-7-3-4-8-21(18)20-11-9-19(10-12-20)17-31-14-6-2-5-13-26-15-23(28)25(30)24(29)22(26)16-27/h3-4,7-12,22-25,27-30H,2,5-6,13-17H2,1H3/t22-,23+,24-,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028257 (CHEMBL3354637) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C24H32FNO5/c25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028229 (CHEMBL3354048) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H32FNO5/c25-20-10-8-19(9-11-20)18-6-4-17(5-7-18)16-31-13-3-1-2-12-26-14-22(28)24(30)23(29)21(26)15-27/h4-11,21-24,27-30H,1-3,12-16H2/t21-,22+,23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028176 (CHEMBL3354621) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H31F2NO5/c25-24(26,11-4-12-27-13-21(29)23(31)22(30)20(27)14-28)16-32-15-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,20-23,28-31H,4,11-16H2/t20-,21+,22-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50312529 (CHEMBL1088158 | N-[5-(Adamantan-1-yl-methoxy)-pent...) Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19| Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20+,21-,22?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair

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