Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'kalthof' and Initial = 'b'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human A2B adenosine receptor				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415448 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...) Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415450 (3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...) Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415451 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...) Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415452 (3-Ethyl-5-methyl-6-[(5-oxo-4,5-dihydro-1H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3nc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-21-11(24)10-8(2)9(6-23-13(25)19-7-20-23)27-12(10)22(14(21)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,19,20,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415453 (3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336977 (CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human A2B adenosine receptor				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415451 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...) Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415448 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...) Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415450 (3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...) Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415448 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...) Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415453 (3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415451 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...) Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415453 (3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50531422 (CHEMBL4522981) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50531422 (CHEMBL4522981) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cell membranes after 120 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415450 (3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...) Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415452 (3-Ethyl-5-methyl-6-[(5-oxo-4,5-dihydro-1H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3nc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-21-11(24)10-8(2)9(6-23-13(25)19-7-20-23)27-12(10)22(14(21)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,19,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415452 (3-Ethyl-5-methyl-6-[(5-oxo-4,5-dihydro-1H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3nc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-21-11(24)10-8(2)9(6-23-13(25)19-7-20-23)27-12(10)22(14(21)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,19,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415453 (3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50531422 (CHEMBL4522981) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in HEK293 cell membranes after 120 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human A2B adenosine receptor				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415448 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...) Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415451 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...) Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415450 (3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...) Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531447 (CHEMBL4569909) Show SMILES COCCn1c2sc(Cc3nc[nH]c3C)c(C)c2c(=O)n(CCc2ccccc2)c1=O Show InChI InChI=1S/C23H26N4O3S/c1-15-19(13-18-16(2)24-14-25-18)31-22-20(15)21(28)26(23(29)27(22)11-12-30-3)10-9-17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531478 (CHEMBL4576817) Show SMILES COCCn1c2sc(Cc3c[nH]c(C)n3)c(C)c2c(=O)n(CCc2ccccc2)c1=O Show InChI InChI=1S/C23H26N4O3S/c1-15-19(13-18-14-24-16(2)25-18)31-22-20(15)21(28)26(23(29)27(22)11-12-30-3)10-9-17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531452 (CHEMBL4521489) Show SMILES COCCn1c2sc(Cn3ccnc3)c(C)c2c(=O)n(CCc2ccccc2)c1=O Show InChI InChI=1S/C22H24N4O3S/c1-16-18(14-24-11-9-23-15-24)30-21-19(16)20(27)25(22(28)26(21)12-13-29-2)10-8-17-6-4-3-5-7-17/h3-7,9,11,15H,8,10,12-14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531434 (CHEMBL4458223) Show SMILES COCCn1c2sc(C(O)C3CC3)c(C)c2c(=O)n(CCc2ccccc2)c1=O Show InChI InChI=1S/C22H26N2O4S/c1-14-17-20(26)23(11-10-15-6-4-3-5-7-15)22(27)24(12-13-28-2)21(17)29-19(14)18(25)16-8-9-16/h3-7,16,18,25H,8-13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531477 (CHEMBL4448231) Show SMILES COCCn1c2sc(C(O)c3ccccc3)c(C)c2c(=O)n(CCc2ccccc2)c1=O Show InChI InChI=1S/C25H26N2O4S/c1-17-20-23(29)26(14-13-18-9-5-3-6-10-18)25(30)27(15-16-31-2)24(20)32-22(17)21(28)19-11-7-4-8-12-19/h3-12,21,28H,13-16H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531450 (CHEMBL4458042) Show SMILES CCN(CC(C)(C)O)C(=O)c1sc2n(CCC(F)(F)F)c(=O)n(CC)c(=O)c2c1C Show InChI InChI=1S/C19H26F3N3O4S/c1-6-23(10-18(4,5)29)15(27)13-11(3)12-14(26)24(7-2)17(28)25(16(12)30-13)9-8-19(20,21)22/h29H,6-10H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531457 (CHEMBL4449139) Show SMILES CCN(CC)C(=O)c1sc2n(CCOC)c(=O)n(CCc3ccccc3)c(=O)c2c1C Show InChI InChI=1S/C23H29N3O4S/c1-5-24(6-2)21(28)19-16(3)18-20(27)25(13-12-17-10-8-7-9-11-17)23(29)26(14-15-30-4)22(18)31-19/h7-11H,5-6,12-15H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531451 (CHEMBL4462879) Show SMILES CCN(CCO)C(=O)c1sc2n(CCC(F)(F)F)c(=O)n(CC)c(=O)c2c1C Show InChI InChI=1S/C17H22F3N3O4S/c1-4-21(8-9-24)14(26)12-10(3)11-13(25)22(5-2)16(27)23(15(11)28-12)7-6-17(18,19)20/h24H,4-9H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531443 (CHEMBL4589448) Show SMILES Cc1csc2n(CCC(F)(F)F)c(=O)n(CCc3cccnc3)c(=O)c12 Show InChI InChI=1S/C17H16F3N3O2S/c1-11-10-26-15-13(11)14(24)22(7-4-12-3-2-6-21-9-12)16(25)23(15)8-5-17(18,19)20/h2-3,6,9-10H,4-5,7-8H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531437 (CHEMBL4474572) Show SMILES Cc1csc2n(CCC(F)(F)F)c(=O)n(CCc3ccccc3)c(=O)c12 Show InChI InChI=1S/C18H17F3N2O2S/c1-12-11-26-16-14(12)15(24)22(9-7-13-5-3-2-4-6-13)17(25)23(16)10-8-18(19,20)21/h2-6,11H,7-10H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531422 (CHEMBL4522981) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531422 (CHEMBL4522981) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant human A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531444 (CHEMBL4564912) Show SMILES Cc1csc2n(CCC(F)(F)F)c(=O)n(CCc3ccccc3F)c(=O)c12 Show InChI InChI=1S/C18H16F4N2O2S/c1-11-10-27-16-14(11)15(25)23(8-6-12-4-2-3-5-13(12)19)17(26)24(16)9-7-18(20,21)22/h2-5,10H,6-9H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531463 (CHEMBL4516075) Show SMILES COCCn1c2sc3CCCc3c2c(=O)n(CCc2ccccc2)c1=O Show InChI InChI=1S/C20H22N2O3S/c1-25-13-12-22-19-17(15-8-5-9-16(15)26-19)18(23)21(20(22)24)11-10-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531453 (CHEMBL4540250) Show SMILES CCN(CC)C(=O)c1sc2n(CCC(F)(F)F)c(=O)n(CCOC)c(=O)c2c1C Show InChI InChI=1S/C18H24F3N3O4S/c1-5-22(6-2)15(26)13-11(3)12-14(25)23(9-10-28-4)17(27)24(16(12)29-13)8-7-18(19,20)21/h5-10H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531438 (CHEMBL4458469) Show SMILES Cc1csc2n(Cc3ncc[nH]3)c(=O)n(CCc3ccccc3)c(=O)c12 Show InChI InChI=1S/C19H18N4O2S/c1-13-12-26-18-16(13)17(24)22(10-7-14-5-3-2-4-6-14)19(25)23(18)11-15-20-8-9-21-15/h2-6,8-9,12H,7,10-11H2,1H3,(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531464 (CHEMBL4540909) Show SMILES Cc1csc2n(CC#N)c(=O)n(CCc3ccccc3)c(=O)c12 Show InChI InChI=1S/C17H15N3O2S/c1-12-11-23-16-14(12)15(21)19(17(22)20(16)10-8-18)9-7-13-5-3-2-4-6-13/h2-6,11H,7,9-10H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531439 (CHEMBL4442438) Show SMILES Cc1csc2n(CCF)c(=O)n(CCc3ccccc3)c(=O)c12 Show InChI InChI=1S/C17H17FN2O2S/c1-12-11-23-16-14(12)15(21)19(17(22)20(16)10-8-18)9-7-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531465 (CHEMBL4441343) Show SMILES Cc1csc2n(Cc3nccn3C)c(=O)n(CCc3ccccc3)c(=O)c12 Show InChI InChI=1S/C20H20N4O2S/c1-14-13-27-19-17(14)18(25)23(10-8-15-6-4-3-5-7-15)20(26)24(19)12-16-21-9-11-22(16)2/h3-7,9,11,13H,8,10,12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531476 (CHEMBL4538262) Show SMILES COCCn1c2sc(c(C)c2c(=O)n(CCc2ccccc2)c1=O)C(C)(O)C1CC1 Show InChI InChI=1S/C23H28N2O4S/c1-15-18-20(26)24(12-11-16-7-5-4-6-8-16)22(27)25(13-14-29-3)21(18)30-19(15)23(2,28)17-9-10-17/h4-8,17,28H,9-14H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50531456 (CHEMBL4457476) Show SMILES COCCn1c2sc(CO)c(C)c2c(=O)n(CCc2ccccc2)c1=O Show InChI InChI=1S/C19H22N2O4S/c1-13-15(12-22)26-18-16(13)17(23)20(19(24)21(18)10-11-25-2)9-8-14-6-4-3-5-7-14/h3-7,22H,8-12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair

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