Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50041936   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25771 (1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1 Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419016 (CHEMBL1814275) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(CN2C(=O)NC(=O)C2=O)c1 |r| Show InChI InChI=1S/C29H39N3O7/c33-20-24-17-23(11-12-25(24)34)26(35)18-30-13-4-1-2-5-14-39-15-6-3-8-21-9-7-10-22(16-21)19-32-28(37)27(36)31-29(32)38/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H,31,36,38)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.794	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50151720 (ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	0.501	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419007 (CHEMBL1814276) Show SMILES NC(=O)Cn1c(O)cn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c1=O |r| Show InChI InChI=1S/C30H42N4O7/c31-28(38)19-34-29(39)20-33(30(34)40)25-10-7-9-22(16-25)8-3-6-15-41-14-5-2-1-4-13-32-18-27(37)23-11-12-26(36)24(17-23)21-35/h7,9-12,16-17,20,27,32,35-37,39H,1-6,8,13-15,18-19,21H2,(H2,31,38)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.251	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419005 (CHEMBL1814273) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(Cn2c(O)c[nH]c2=O)c1 |r| Show InChI InChI=1S/C29H41N3O6/c33-21-25-17-24(11-12-26(25)34)27(35)18-30-13-4-1-2-5-14-38-15-6-3-8-22-9-7-10-23(16-22)20-32-28(36)19-31-29(32)37/h7,9-12,16-17,19,27,30,33-36H,1-6,8,13-15,18,20-21H2,(H,31,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419006 (CHEMBL1814274) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(Cn2cc(O)[nH]c2=O)c1 |r| Show InChI InChI=1S/C29H41N3O6/c33-21-25-17-24(11-12-26(25)34)27(35)18-30-13-4-1-2-5-14-38-15-6-3-8-22-9-7-10-23(16-22)19-32-20-28(36)31-29(32)37/h7,9-12,16-17,20,27,30,33-36H,1-6,8,13-15,18-19,21H2,(H,31,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.631	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419008 (CHEMBL1814277 | CHEMBL1814278) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(=O)cc[nH]c1=O |r| Show InChI InChI=1S/C29H39N3O6/c33-21-24-19-23(11-12-26(24)34)27(35)20-30-14-4-1-2-5-16-38-17-6-3-8-22-9-7-10-25(18-22)32-28(36)13-15-31-29(32)37/h7,9-13,15,18-19,27,30,33-35H,1-6,8,14,16-17,20-21H2,(H,31,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.794	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419009 (CHEMBL1814267) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C29H39N3O6/c33-21-24-19-23(11-12-26(24)34)27(35)20-30-14-4-1-2-5-16-38-17-6-3-8-22-9-7-10-25(18-22)32-15-13-28(36)31-29(32)37/h7,9-13,15,18-19,27,30,33-35H,1-6,8,14,16-17,20-21H2,(H,31,36,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419010 (CHEMBL1814279 | CHEMBL1814280) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(O)=O)c1 |r| Show InChI InChI=1S/C28H41N3O7/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-38-15-6-3-8-21-9-7-10-24(16-21)31-28(37)30-19-27(35)36/h7,9-12,16-17,26,29,32-34H,1-6,8,13-15,18-20H2,(H,35,36)(H2,30,31,37)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419011 (CHEMBL1814268) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(O)c[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-27(35)19-30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.631	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419014 (CHEMBL1814271) Show SMILES CC1(C)NC(=O)N(C1=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C30H43N3O6/c1-30(2)28(37)33(29(38)32-30)25-12-9-11-22(18-25)10-5-8-17-39-16-7-4-3-6-15-31-20-27(36)23-13-14-26(35)24(19-23)21-34/h9,11-14,18-19,27,31,34-36H,3-8,10,15-17,20-21H2,1-2H3,(H,32,38)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.794	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419015 (CHEMBL1814272) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-19-27(35)30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419013 (CHEMBL1814269) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccc(cc1)-n1c(O)c[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(10-13-25(23)33)26(34)18-29-14-4-1-2-5-15-37-16-6-3-7-21-8-11-24(12-9-21)31-27(35)19-30-28(31)36/h8-13,17,19,26,29,32-35H,1-7,14-16,18,20H2,(H,30,36)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419012 (CHEMBL1814270) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccccc1-n1c(O)c[nH]c1=O |r,wU:9.10,(25.44,3.35,;26.77,4.12,;28.11,3.35,;29.44,4.12,;30.77,3.36,;30.78,1.81,;29.44,1.04,;28.1,1.81,;26.77,1.04,;32.1,4.13,;32.1,5.67,;33.44,3.37,;34.77,4.14,;36.11,3.38,;37.44,4.15,;38.77,3.39,;40.1,4.16,;41.44,3.4,;42.77,4.17,;44.11,3.41,;45.44,4.18,;46.77,3.42,;48.11,4.19,;49.44,3.43,;50.77,4.2,;50.76,5.74,;52.08,6.52,;53.43,5.75,;53.44,4.21,;52.11,3.44,;52.11,1.9,;50.87,.99,;49.41,1.46,;51.35,-.47,;52.89,-.47,;53.36,1,;54.83,1.48,)| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(12-13-25(23)33)26(34)18-29-14-6-1-2-7-15-37-16-8-5-10-21-9-3-4-11-24(21)31-27(35)19-30-28(31)36/h3-4,9,11-13,17,19,26,29,32-35H,1-2,5-8,10,14-16,18,20H2,(H,30,36)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419005 (CHEMBL1814273) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(Cn2c(O)c[nH]c2=O)c1 |r| Show InChI InChI=1S/C29H41N3O6/c33-21-25-17-24(11-12-26(25)34)27(35)18-30-13-4-1-2-5-14-38-15-6-3-8-22-9-7-10-23(16-22)20-32-28(36)19-31-29(32)37/h7,9-12,16-17,19,27,30,33-36H,1-6,8,13-15,18,20-21H2,(H,31,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419006 (CHEMBL1814274) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(Cn2cc(O)[nH]c2=O)c1 |r| Show InChI InChI=1S/C29H41N3O6/c33-21-25-17-24(11-12-26(25)34)27(35)18-30-13-4-1-2-5-14-38-15-6-3-8-22-9-7-10-23(16-22)19-32-20-28(36)31-29(32)37/h7,9-12,16-17,20,27,30,33-36H,1-6,8,13-15,18-19,21H2,(H,31,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419007 (CHEMBL1814276) Show SMILES NC(=O)Cn1c(O)cn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c1=O |r| Show InChI InChI=1S/C30H42N4O7/c31-28(38)19-34-29(39)20-33(30(34)40)25-10-7-9-22(16-25)8-3-6-15-41-14-5-2-1-4-13-32-18-27(37)23-11-12-26(36)24(17-23)21-35/h7,9-12,16-17,20,27,32,35-37,39H,1-6,8,13-15,18-19,21H2,(H2,31,38)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419008 (CHEMBL1814277 | CHEMBL1814278) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(=O)cc[nH]c1=O |r| Show InChI InChI=1S/C29H39N3O6/c33-21-24-19-23(11-12-26(24)34)27(35)20-30-14-4-1-2-5-16-38-17-6-3-8-22-9-7-10-25(18-22)32-28(36)13-15-31-29(32)37/h7,9-13,15,18-19,27,30,33-35H,1-6,8,14,16-17,20-21H2,(H,31,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419009 (CHEMBL1814267) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C29H39N3O6/c33-21-24-19-23(11-12-26(24)34)27(35)20-30-14-4-1-2-5-16-38-17-6-3-8-22-9-7-10-25(18-22)32-15-13-28(36)31-29(32)37/h7,9-13,15,18-19,27,30,33-35H,1-6,8,14,16-17,20-21H2,(H,31,36,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419010 (CHEMBL1814279 | CHEMBL1814280) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(O)=O)c1 |r| Show InChI InChI=1S/C28H41N3O7/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-38-15-6-3-8-21-9-7-10-24(16-21)31-28(37)30-19-27(35)36/h7,9-12,16-17,26,29,32-34H,1-6,8,13-15,18-20H2,(H,35,36)(H2,30,31,37)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25771 (1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1 Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50151720 (ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419011 (CHEMBL1814268) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(O)c[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-27(35)19-30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419012 (CHEMBL1814270) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccccc1-n1c(O)c[nH]c1=O |r,wU:9.10,(25.44,3.35,;26.77,4.12,;28.11,3.35,;29.44,4.12,;30.77,3.36,;30.78,1.81,;29.44,1.04,;28.1,1.81,;26.77,1.04,;32.1,4.13,;32.1,5.67,;33.44,3.37,;34.77,4.14,;36.11,3.38,;37.44,4.15,;38.77,3.39,;40.1,4.16,;41.44,3.4,;42.77,4.17,;44.11,3.41,;45.44,4.18,;46.77,3.42,;48.11,4.19,;49.44,3.43,;50.77,4.2,;50.76,5.74,;52.08,6.52,;53.43,5.75,;53.44,4.21,;52.11,3.44,;52.11,1.9,;50.87,.99,;49.41,1.46,;51.35,-.47,;52.89,-.47,;53.36,1,;54.83,1.48,)| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(12-13-25(23)33)26(34)18-29-14-6-1-2-7-15-37-16-8-5-10-21-9-3-4-11-24(21)31-27(35)19-30-28(31)36/h3-4,9,11-13,17,19,26,29,32-35H,1-2,5-8,10,14-16,18,20H2,(H,30,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419013 (CHEMBL1814269) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccc(cc1)-n1c(O)c[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(10-13-25(23)33)26(34)18-29-14-4-1-2-5-15-37-16-6-3-7-21-8-11-24(12-9-21)31-27(35)19-30-28(31)36/h8-13,17,19,26,29,32-35H,1-7,14-16,18,20H2,(H,30,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419014 (CHEMBL1814271) Show SMILES CC1(C)NC(=O)N(C1=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C30H43N3O6/c1-30(2)28(37)33(29(38)32-30)25-12-9-11-22(18-25)10-5-8-17-39-16-7-4-3-6-15-31-20-27(36)23-13-14-26(35)24(19-23)21-34/h9,11-14,18-19,27,31,34-36H,3-8,10,15-17,20-21H2,1-2H3,(H,32,38)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419015 (CHEMBL1814272) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-19-27(35)30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419005 (CHEMBL1814273) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(Cn2c(O)c[nH]c2=O)c1 |r| Show InChI InChI=1S/C29H41N3O6/c33-21-25-17-24(11-12-26(25)34)27(35)18-30-13-4-1-2-5-14-38-15-6-3-8-22-9-7-10-23(16-22)20-32-28(36)19-31-29(32)37/h7,9-12,16-17,19,27,30,33-36H,1-6,8,13-15,18,20-21H2,(H,31,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419006 (CHEMBL1814274) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(Cn2cc(O)[nH]c2=O)c1 |r| Show InChI InChI=1S/C29H41N3O6/c33-21-25-17-24(11-12-26(25)34)27(35)18-30-13-4-1-2-5-14-38-15-6-3-8-22-9-7-10-23(16-22)19-32-20-28(36)31-29(32)37/h7,9-12,16-17,20,27,30,33-36H,1-6,8,13-15,18-19,21H2,(H,31,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419016 (CHEMBL1814275) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(CN2C(=O)NC(=O)C2=O)c1 |r| Show InChI InChI=1S/C29H39N3O7/c33-20-24-17-23(11-12-25(24)34)26(35)18-30-13-4-1-2-5-14-39-15-6-3-8-21-9-7-10-22(16-21)19-32-28(37)27(36)31-29(32)38/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H,31,36,38)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419007 (CHEMBL1814276) Show SMILES NC(=O)Cn1c(O)cn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c1=O |r| Show InChI InChI=1S/C30H42N4O7/c31-28(38)19-34-29(39)20-33(30(34)40)25-10-7-9-22(16-25)8-3-6-15-41-14-5-2-1-4-13-32-18-27(37)23-11-12-26(36)24(17-23)21-35/h7,9-12,16-17,20,27,32,35-37,39H,1-6,8,13-15,18-19,21H2,(H2,31,38)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419008 (CHEMBL1814277 | CHEMBL1814278) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(=O)cc[nH]c1=O |r| Show InChI InChI=1S/C29H39N3O6/c33-21-24-19-23(11-12-26(24)34)27(35)20-30-14-4-1-2-5-16-38-17-6-3-8-22-9-7-10-25(18-22)32-28(36)13-15-31-29(32)37/h7,9-13,15,18-19,27,30,33-35H,1-6,8,14,16-17,20-21H2,(H,31,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419009 (CHEMBL1814267) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C29H39N3O6/c33-21-24-19-23(11-12-26(24)34)27(35)20-30-14-4-1-2-5-16-38-17-6-3-8-22-9-7-10-25(18-22)32-15-13-28(36)31-29(32)37/h7,9-13,15,18-19,27,30,33-35H,1-6,8,14,16-17,20-21H2,(H,31,36,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM25771 (1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1 Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50151720 (ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50419011 (CHEMBL1814268) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(O)c[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-27(35)19-30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.794	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50419015 (CHEMBL1814272) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-19-27(35)30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50419008 (CHEMBL1814277 | CHEMBL1814278) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(=O)cc[nH]c1=O |r| Show InChI InChI=1S/C29H39N3O6/c33-21-24-19-23(11-12-26(24)34)27(35)20-30-14-4-1-2-5-16-38-17-6-3-8-22-9-7-10-25(18-22)32-28(36)13-15-31-29(32)37/h7,9-13,15,18-19,27,30,33-35H,1-6,8,14,16-17,20-21H2,(H,31,37)/t27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50419010 (CHEMBL1814279 | CHEMBL1814280) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(O)=O)c1 |r| Show InChI InChI=1S/C28H41N3O7/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-38-15-6-3-8-21-9-7-10-24(16-21)31-28(37)30-19-27(35)36/h7,9-12,16-17,26,29,32-34H,1-6,8,13-15,18-20H2,(H,35,36)(H2,30,31,37)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50151720 (ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.316	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419011 (CHEMBL1814268) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(O)c[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-27(35)19-30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419012 (CHEMBL1814270) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccccc1-n1c(O)c[nH]c1=O |r,wU:9.10,(25.44,3.35,;26.77,4.12,;28.11,3.35,;29.44,4.12,;30.77,3.36,;30.78,1.81,;29.44,1.04,;28.1,1.81,;26.77,1.04,;32.1,4.13,;32.1,5.67,;33.44,3.37,;34.77,4.14,;36.11,3.38,;37.44,4.15,;38.77,3.39,;40.1,4.16,;41.44,3.4,;42.77,4.17,;44.11,3.41,;45.44,4.18,;46.77,3.42,;48.11,4.19,;49.44,3.43,;50.77,4.2,;50.76,5.74,;52.08,6.52,;53.43,5.75,;53.44,4.21,;52.11,3.44,;52.11,1.9,;50.87,.99,;49.41,1.46,;51.35,-.47,;52.89,-.47,;53.36,1,;54.83,1.48,)| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(12-13-25(23)33)26(34)18-29-14-6-1-2-7-15-37-16-8-5-10-21-9-3-4-11-24(21)31-27(35)19-30-28(31)36/h3-4,9,11-13,17,19,26,29,32-35H,1-2,5-8,10,14-16,18,20H2,(H,30,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419013 (CHEMBL1814269) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccc(cc1)-n1c(O)c[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(10-13-25(23)33)26(34)18-29-14-4-1-2-5-15-37-16-6-3-7-21-8-11-24(12-9-21)31-27(35)19-30-28(31)36/h8-13,17,19,26,29,32-35H,1-7,14-16,18,20H2,(H,30,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419014 (CHEMBL1814271) Show SMILES CC1(C)NC(=O)N(C1=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C30H43N3O6/c1-30(2)28(37)33(29(38)32-30)25-12-9-11-22(18-25)10-5-8-17-39-16-7-4-3-6-15-31-20-27(36)23-13-14-26(35)24(19-23)21-34/h9,11-14,18-19,27,31,34-36H,3-8,10,15-17,20-21H2,1-2H3,(H,32,38)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419015 (CHEMBL1814272) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O |r| Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-19-27(35)30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419016 (CHEMBL1814275) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(CN2C(=O)NC(=O)C2=O)c1 |r| Show InChI InChI=1S/C29H39N3O7/c33-20-24-17-23(11-12-25(24)34)26(35)18-30-13-4-1-2-5-14-39-15-6-3-8-21-9-7-10-22(16-21)19-32-28(37)27(36)31-29(32)38/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H,31,36,38)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419010 (CHEMBL1814279 | CHEMBL1814280) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(O)=O)c1 |r| Show InChI InChI=1S/C28H41N3O7/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-38-15-6-3-8-21-9-7-10-24(16-21)31-28(37)30-19-27(35)36/h7,9-12,16-17,26,29,32-34H,1-6,8,13-15,18-20H2,(H,35,36)(H2,30,31,37)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 51 total )  |  Next  |  Last  >>

Jump to: