Compile Data Set for Download or QSAR

Found 137 hits Enz. Inhib. hit(s) with all data for entry = 50032613   

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))	BDBM50331916 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C31H29N3O3S/c1-2-26(22-11-7-4-8-12-22)33-28(35)20-37-23-14-16-27-25(19-23)24(15-13-21-9-5-3-6-10-21)29(30(36)34-27)31-32-17-18-38-31/h3-12,14,16-19,26H,2,13,15,20H2,1H3,(H,33,35)(H,34,36)/t26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331917 ((R)-N-(2-hydroxy-1-phenylethyl)-2-(2-oxo-4-pheneth...) Show SMILES OC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O4S/c34-18-26(21-9-5-2-6-10-21)32-27(35)19-37-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)28(29(36)33-25)30-31-15-16-38-30/h1-10,12,14-17,26,34H,11,13,18-19H2,(H,32,35)(H,33,36)/t26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331914 (2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroq...) Show SMILES O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(CC1)c1ccccc1 Show InChI InChI=1S/C31H27N3O3S/c35-27(34-31(15-16-31)22-9-5-2-6-10-22)20-37-23-12-14-26-25(19-23)24(13-11-21-7-3-1-4-8-21)28(29(36)33-26)30-32-17-18-38-30/h1-10,12,14,17-19H,11,13,15-16,20H2,(H,33,36)(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331913 (2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroq...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H29N3O3S/c1-31(2,22-11-7-4-8-12-22)34-27(35)20-37-23-14-16-26-25(19-23)24(15-13-21-9-5-3-6-10-21)28(29(36)33-26)30-32-17-18-38-30/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,33,36)(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331911 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O3S/c1-20(22-10-6-3-7-11-22)32-27(34)19-36-23-13-15-26-25(18-23)24(14-12-21-8-4-2-5-9-21)28(29(35)33-26)30-31-16-17-37-30/h2-11,13,15-18,20H,12,14,19H2,1H3,(H,32,34)(H,33,35)/t20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331917 ((R)-N-(2-hydroxy-1-phenylethyl)-2-(2-oxo-4-pheneth...) Show SMILES OC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O4S/c34-18-26(21-9-5-2-6-10-21)32-27(35)19-37-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)28(29(36)33-25)30-31-15-16-38-30/h1-10,12,14-17,26,34H,11,13,18-19H2,(H,32,35)(H,33,36)/t26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331914 (2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroq...) Show SMILES O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(CC1)c1ccccc1 Show InChI InChI=1S/C31H27N3O3S/c35-27(34-31(15-16-31)22-9-5-2-6-10-22)20-37-23-12-14-26-25(19-23)24(13-11-21-7-3-1-4-8-21)28(29(36)33-26)30-32-17-18-38-30/h1-10,12,14,17-19H,11,13,15-16,20H2,(H,33,36)(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331913 (2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroq...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H29N3O3S/c1-31(2,22-11-7-4-8-12-22)34-27(35)20-37-23-14-16-26-25(19-23)24(15-13-21-9-5-3-6-10-21)28(29(36)33-26)30-32-17-18-38-30/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,33,36)(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331917 ((R)-N-(2-hydroxy-1-phenylethyl)-2-(2-oxo-4-pheneth...) Show SMILES OC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O4S/c34-18-26(21-9-5-2-6-10-21)32-27(35)19-37-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)28(29(36)33-25)30-31-15-16-38-30/h1-10,12,14-17,26,34H,11,13,18-19H2,(H,32,35)(H,33,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331917 ((R)-N-(2-hydroxy-1-phenylethyl)-2-(2-oxo-4-pheneth...) Show SMILES OC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O4S/c34-18-26(21-9-5-2-6-10-21)32-27(35)19-37-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)28(29(36)33-25)30-31-15-16-38-30/h1-10,12,14-17,26,34H,11,13,18-19H2,(H,32,35)(H,33,36)/t26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331916 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C31H29N3O3S/c1-2-26(22-11-7-4-8-12-22)33-28(35)20-37-23-14-16-27-25(19-23)24(15-13-21-9-5-3-6-10-21)29(30(36)34-27)31-32-17-18-38-31/h3-12,14,16-19,26H,2,13,15,20H2,1H3,(H,33,35)(H,34,36)/t26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331916 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C31H29N3O3S/c1-2-26(22-11-7-4-8-12-22)33-28(35)20-37-23-14-16-27-25(19-23)24(15-13-21-9-5-3-6-10-21)29(30(36)34-27)31-32-17-18-38-31/h3-12,14,16-19,26H,2,13,15,20H2,1H3,(H,33,35)(H,34,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331920 (2-(4-(4-fluorophenethyl)-2-oxo-3-(thiazol-2-yl)-1,...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H28FN3O3S/c1-31(2,21-6-4-3-5-7-21)35-27(36)19-38-23-13-15-26-25(18-23)24(14-10-20-8-11-22(32)12-9-20)28(29(37)34-26)30-33-16-17-39-30/h3-9,11-13,15-18H,10,14,19H2,1-2H3,(H,34,37)(H,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331933 (2-(3-(3-methylisoxazol-5-yl)-2-oxo-4-phenethyl-1,2...) Show SMILES Cc1cc(on1)-c1c(CCc2ccccc2)c2cc(OCC(=O)NC(C)(C)c3ccccc3)ccc2[nH]c1=O Show InChI InChI=1S/C32H31N3O4/c1-21-18-28(39-35-21)30-25(16-14-22-10-6-4-7-11-22)26-19-24(15-17-27(26)33-31(30)37)38-20-29(36)34-32(2,3)23-12-8-5-9-13-23/h4-13,15,17-19H,14,16,20H2,1-3H3,(H,33,37)(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331914 (2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroq...) Show SMILES O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(CC1)c1ccccc1 Show InChI InChI=1S/C31H27N3O3S/c35-27(34-31(15-16-31)22-9-5-2-6-10-22)20-37-23-12-14-26-25(19-23)24(13-11-21-7-3-1-4-8-21)28(29(36)33-26)30-32-17-18-38-30/h1-10,12,14,17-19H,11,13,15-16,20H2,(H,33,36)(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331914 (2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroq...) Show SMILES O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(CC1)c1ccccc1 Show InChI InChI=1S/C31H27N3O3S/c35-27(34-31(15-16-31)22-9-5-2-6-10-22)20-37-23-12-14-26-25(19-23)24(13-11-21-7-3-1-4-8-21)28(29(36)33-26)30-32-17-18-38-30/h1-10,12,14,17-19H,11,13,15-16,20H2,(H,33,36)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331911 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O3S/c1-20(22-10-6-3-7-11-22)32-27(34)19-36-23-13-15-26-25(18-23)24(14-12-21-8-4-2-5-9-21)28(29(35)33-26)30-31-16-17-37-30/h2-11,13,15-18,20H,12,14,19H2,1H3,(H,32,34)(H,33,35)/t20-/m0/s1	PDB NCI pathway 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
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331911 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O3S/c1-20(22-10-6-3-7-11-22)32-27(34)19-36-23-13-15-26-25(18-23)24(14-12-21-8-4-2-5-9-21)28(29(35)33-26)30-31-16-17-37-30/h2-11,13,15-18,20H,12,14,19H2,1H3,(H,32,34)(H,33,35)/t20-/m0/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
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331929 (1-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydro...) Show SMILES CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H30N4O2S/c1-31(2,23-11-7-4-8-12-23)35-30(37)33-20-22-14-16-26-25(19-22)24(15-13-21-9-5-3-6-10-21)27(28(36)34-26)29-32-17-18-38-29/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,34,36)(H2,33,35,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331913 (2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroq...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H29N3O3S/c1-31(2,22-11-7-4-8-12-22)34-27(35)20-37-23-14-16-26-25(19-23)24(15-13-21-9-5-3-6-10-21)28(29(36)33-26)30-32-17-18-38-30/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,33,36)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331910 (1-benzyl-3-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,...) Show SMILES O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 Show InChI InChI=1S/C29H26N4O2S/c34-27-26(28-30-15-16-36-28)23(13-11-20-7-3-1-4-8-20)24-17-22(12-14-25(24)33-27)19-32-29(35)31-18-21-9-5-2-6-10-21/h1-10,12,14-17H,11,13,18-19H2,(H,33,34)(H2,31,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331916 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C31H29N3O3S/c1-2-26(22-11-7-4-8-12-22)33-28(35)20-37-23-14-16-27-25(19-23)24(15-13-21-9-5-3-6-10-21)29(30(36)34-27)31-32-17-18-38-31/h3-12,14,16-19,26H,2,13,15,20H2,1H3,(H,33,35)(H,34,36)/t26-/m0/s1	PDB NCI pathway 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
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331908 (CHEMBL1290436 | N-benzyl-2-(2-oxo-4-phenethyl-3-(t...) Show SMILES O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 Show InChI InChI=1S/C29H25N3O3S/c33-26(31-18-21-9-5-2-6-10-21)19-35-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)27(28(34)32-25)29-30-15-16-36-29/h1-10,12,14-17H,11,13,18-19H2,(H,31,33)(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331913 (2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroq...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H29N3O3S/c1-31(2,22-11-7-4-8-12-22)34-27(35)20-37-23-14-16-26-25(19-23)24(15-13-21-9-5-3-6-10-21)28(29(36)33-26)30-32-17-18-38-30/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,33,36)(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331911 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O3S/c1-20(22-10-6-3-7-11-22)32-27(34)19-36-23-13-15-26-25(18-23)24(14-12-21-8-4-2-5-9-21)28(29(35)33-26)30-31-16-17-37-30/h2-11,13,15-18,20H,12,14,19H2,1H3,(H,32,34)(H,33,35)/t20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331933 (2-(3-(3-methylisoxazol-5-yl)-2-oxo-4-phenethyl-1,2...) Show SMILES Cc1cc(on1)-c1c(CCc2ccccc2)c2cc(OCC(=O)NC(C)(C)c3ccccc3)ccc2[nH]c1=O Show InChI InChI=1S/C32H31N3O4/c1-21-18-28(39-35-21)30-25(16-14-22-10-6-4-7-11-22)26-19-24(15-17-27(26)33-31(30)37)38-20-29(36)34-32(2,3)23-12-8-5-9-13-23/h4-13,15,17-19H,14,16,20H2,1-3H3,(H,33,37)(H,34,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331908 (CHEMBL1290436 | N-benzyl-2-(2-oxo-4-phenethyl-3-(t...) Show SMILES O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 Show InChI InChI=1S/C29H25N3O3S/c33-26(31-18-21-9-5-2-6-10-21)19-35-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)27(28(34)32-25)29-30-15-16-36-29/h1-10,12,14-17H,11,13,18-19H2,(H,31,33)(H,32,34)	PDB NCI pathway 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
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331920 (2-(4-(4-fluorophenethyl)-2-oxo-3-(thiazol-2-yl)-1,...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H28FN3O3S/c1-31(2,21-6-4-3-5-7-21)35-27(36)19-38-23-13-15-26-25(18-23)24(14-10-20-8-11-22(32)12-9-20)28(29(37)34-26)30-33-16-17-39-30/h3-9,11-13,15-18H,10,14,19H2,1-2H3,(H,34,37)(H,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331912 ((R)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O3S/c1-20(22-10-6-3-7-11-22)32-27(34)19-36-23-13-15-26-25(18-23)24(14-12-21-8-4-2-5-9-21)28(29(35)33-26)30-31-16-17-37-30/h2-11,13,15-18,20H,12,14,19H2,1H3,(H,32,34)(H,33,35)/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331908 (CHEMBL1290436 | N-benzyl-2-(2-oxo-4-phenethyl-3-(t...) Show SMILES O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 Show InChI InChI=1S/C29H25N3O3S/c33-26(31-18-21-9-5-2-6-10-21)19-35-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)27(28(34)32-25)29-30-15-16-36-29/h1-10,12,14-17H,11,13,18-19H2,(H,31,33)(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331910 (1-benzyl-3-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,...) Show SMILES O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 Show InChI InChI=1S/C29H26N4O2S/c34-27-26(28-30-15-16-36-28)23(13-11-20-7-3-1-4-8-20)24-17-22(12-14-25(24)33-27)19-32-29(35)31-18-21-9-5-2-6-10-21/h1-10,12,14-17H,11,13,18-19H2,(H,33,34)(H2,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331929 (1-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydro...) Show SMILES CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H30N4O2S/c1-31(2,23-11-7-4-8-12-23)35-30(37)33-20-22-14-16-26-25(19-22)24(15-13-21-9-5-3-6-10-21)27(28(36)34-26)29-32-17-18-38-29/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,34,36)(H2,33,35,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331910 (1-benzyl-3-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,...) Show SMILES O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 Show InChI InChI=1S/C29H26N4O2S/c34-27-26(28-30-15-16-36-28)23(13-11-20-7-3-1-4-8-20)24-17-22(12-14-25(24)33-27)19-32-29(35)31-18-21-9-5-2-6-10-21/h1-10,12,14-17H,11,13,18-19H2,(H,33,34)(H2,31,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331926 (CHEMBL1290782 | N-benzyl-2-(1-methyl-3-(methylsulf...) Show SMILES Cn1c2ccc(OCC(=O)NCc3ccccc3)cc2c(CCc2ccccc2)c(c1=O)S(C)(=O)=O Show InChI InChI=1S/C28H28N2O5S/c1-30-25-16-14-22(35-19-26(31)29-18-21-11-7-4-8-12-21)17-24(25)23(27(28(30)32)36(2,33)34)15-13-20-9-5-3-6-10-20/h3-12,14,16-17H,13,15,18-19H2,1-2H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331919 (2-(2-oxo-4-(phenoxymethyl)-3-(thiazol-2-yl)-1,2-di...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C30H27N3O4S/c1-30(2,20-9-5-3-6-10-20)33-26(34)19-37-22-13-14-25-23(17-22)24(18-36-21-11-7-4-8-12-21)27(28(35)32-25)29-31-15-16-38-29/h3-17H,18-19H2,1-2H3,(H,32,35)(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331919 (2-(2-oxo-4-(phenoxymethyl)-3-(thiazol-2-yl)-1,2-di...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C30H27N3O4S/c1-30(2,20-9-5-3-6-10-20)33-26(34)19-37-22-13-14-25-23(17-22)24(18-36-21-11-7-4-8-12-21)27(28(35)32-25)29-31-15-16-38-29/h3-17H,18-19H2,1-2H3,(H,32,35)(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331919 (2-(2-oxo-4-(phenoxymethyl)-3-(thiazol-2-yl)-1,2-di...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C30H27N3O4S/c1-30(2,20-9-5-3-6-10-20)33-26(34)19-37-22-13-14-25-23(17-22)24(18-36-21-11-7-4-8-12-21)27(28(35)32-25)29-31-15-16-38-29/h3-17H,18-19H2,1-2H3,(H,32,35)(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331908 (CHEMBL1290436 | N-benzyl-2-(2-oxo-4-phenethyl-3-(t...) Show SMILES O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 Show InChI InChI=1S/C29H25N3O3S/c33-26(31-18-21-9-5-2-6-10-21)19-35-22-12-14-25-24(17-22)23(13-11-20-7-3-1-4-8-20)27(28(34)32-25)29-30-15-16-36-29/h1-10,12,14-17H,11,13,18-19H2,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331920 (2-(4-(4-fluorophenethyl)-2-oxo-3-(thiazol-2-yl)-1,...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H28FN3O3S/c1-31(2,21-6-4-3-5-7-21)35-27(36)19-38-23-13-15-26-25(18-23)24(14-10-20-8-11-22(32)12-9-20)28(29(37)34-26)30-33-16-17-39-30/h3-9,11-13,15-18H,10,14,19H2,1-2H3,(H,34,37)(H,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331926 (CHEMBL1290782 | N-benzyl-2-(1-methyl-3-(methylsulf...) Show SMILES Cn1c2ccc(OCC(=O)NCc3ccccc3)cc2c(CCc2ccccc2)c(c1=O)S(C)(=O)=O Show InChI InChI=1S/C28H28N2O5S/c1-30-25-16-14-22(35-19-26(31)29-18-21-11-7-4-8-12-21)17-24(25)23(27(28(30)32)36(2,33)34)15-13-20-9-5-3-6-10-20/h3-12,14,16-17H,13,15,18-19H2,1-2H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331912 ((R)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O3S/c1-20(22-10-6-3-7-11-22)32-27(34)19-36-23-13-15-26-25(18-23)24(14-12-21-8-4-2-5-9-21)28(29(35)33-26)30-31-16-17-37-30/h2-11,13,15-18,20H,12,14,19H2,1H3,(H,32,34)(H,33,35)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331921 (CHEMBL1290543 | N-(3,4-dichlorobenzyl)-2-(3-(methy...) Show SMILES CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O Show InChI InChI=1S/C27H24Cl2N2O5S/c1-37(34,35)26-20(10-7-17-5-3-2-4-6-17)21-14-19(9-12-24(21)31-27(26)33)36-16-25(32)30-15-18-8-11-22(28)23(29)13-18/h2-6,8-9,11-14H,7,10,15-16H2,1H3,(H,30,32)(H,31,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331919 (2-(2-oxo-4-(phenoxymethyl)-3-(thiazol-2-yl)-1,2-di...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C30H27N3O4S/c1-30(2,20-9-5-3-6-10-20)33-26(34)19-37-22-13-14-25-23(17-22)24(18-36-21-11-7-4-8-12-21)27(28(35)32-25)29-31-15-16-38-29/h3-17H,18-19H2,1-2H3,(H,32,35)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331931 (2-(2-oxo-4-phenethyl-3-(pyridin-3-yl)-1,2-dihydroq...) Show SMILES CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3cccnc3)c(CCc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C33H31N3O3/c1-33(2,25-13-7-4-8-14-25)36-30(37)22-39-26-16-18-29-28(20-26)27(17-15-23-10-5-3-6-11-23)31(32(38)35-29)24-12-9-19-34-21-24/h3-14,16,18-21H,15,17,22H2,1-2H3,(H,35,38)(H,36,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331921 (CHEMBL1290543 | N-(3,4-dichlorobenzyl)-2-(3-(methy...) Show SMILES CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O Show InChI InChI=1S/C27H24Cl2N2O5S/c1-37(34,35)26-20(10-7-17-5-3-2-4-6-17)21-14-19(9-12-24(21)31-27(26)33)36-16-25(32)30-15-18-8-11-22(28)23(29)13-18/h2-6,8-9,11-14H,7,10,15-16H2,1H3,(H,30,32)(H,31,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331909 (CHEMBL1290435 | N-((2-oxo-4-phenethyl-3-(thiazol-2...) Show SMILES O=C(CCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 Show InChI InChI=1S/C30H27N3O2S/c34-27(16-13-22-9-5-2-6-10-22)32-20-23-12-15-26-25(19-23)24(14-11-21-7-3-1-4-8-21)28(29(35)33-26)30-31-17-18-36-30/h1-10,12,15,17-19H,11,13-14,16,20H2,(H,32,34)(H,33,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	291	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331921 (CHEMBL1290543 | N-(3,4-dichlorobenzyl)-2-(3-(methy...) Show SMILES CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O Show InChI InChI=1S/C27H24Cl2N2O5S/c1-37(34,35)26-20(10-7-17-5-3-2-4-6-17)21-14-19(9-12-24(21)31-27(26)33)36-16-25(32)30-15-18-8-11-22(28)23(29)13-18/h2-6,8-9,11-14H,7,10,15-16H2,1H3,(H,30,32)(H,31,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	315	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331912 ((R)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O3S/c1-20(22-10-6-3-7-11-22)32-27(34)19-36-23-13-15-26-25(18-23)24(14-12-21-8-4-2-5-9-21)28(29(35)33-26)30-31-16-17-37-30/h2-11,13,15-18,20H,12,14,19H2,1H3,(H,32,34)(H,33,35)/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331907 (CHEMBL1289461 | N-benzyl-2-(3-(furan-2-yl)-2-oxo-4...) Show SMILES O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1 Show InChI InChI=1S/C30H26N2O4/c33-28(31-19-22-10-5-2-6-11-22)20-36-23-14-16-26-25(18-23)24(15-13-21-8-3-1-4-9-21)29(30(34)32-26)27-12-7-17-35-27/h1-12,14,16-18H,13,15,19-20H2,(H,31,33)(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331906 (2-(3-cyano-2-oxo-4-phenethyl-1,2-dihydroquinolin-6...) Show SMILES Clc1ccc(CNC(=O)COc2ccc3[nH]c(=O)c(C#N)c(CCc4ccccc4)c3c2)cc1Cl Show InChI InChI=1S/C27H21Cl2N3O3/c28-23-10-7-18(12-24(23)29)15-31-26(33)16-35-19-8-11-25-21(13-19)20(22(14-30)27(34)32-25)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-13H,6,9,15-16H2,(H,31,33)(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	338	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair

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