Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with all data for entry = 50044601   

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))	BDBM50021888 (CHEMBL3298987) Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 |r| Show InChI InChI=1S/C35H38N4O4/c1-35(2,36)22-43-32-16-12-26(20-29(32)24-6-4-3-5-7-24)38-25-10-8-23(9-11-25)18-19-37-21-31(41)27-13-15-30(40)34-28(27)14-17-33(42)39-34/h3-17,20,31,37-38,40-41H,18-19,21-22,36H2,1-2H3,(H,39,42)/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021866 (CHEMBL3298326) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C33H34N4O4/c1-41-31-14-10-25(18-28(31)23-6-2-22(19-34)3-7-23)36-24-8-4-21(5-9-24)16-17-35-20-30(39)26-11-13-29(38)33-27(26)12-15-32(40)37-33/h2-15,18,30,35-36,38-39H,16-17,19-20,34H2,1H3,(H,37,40)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021865 (CHEMBL3298325) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 |r| Show InChI InChI=1S/C33H34N4O4/c1-41-31-13-9-25(18-28(31)23-4-2-3-22(17-23)19-34)36-24-7-5-21(6-8-24)15-16-35-20-30(39)26-10-12-29(38)33-27(26)11-14-32(40)37-33/h2-14,17-18,30,35-36,38-39H,15-16,19-20,34H2,1H3,(H,37,40)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419652 (MILVETEROL) Show SMILES O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c1ccc(O)c(NC=O)c1 |r| Show InChI InChI=1S/C25H29N3O4/c29-17-28-22-14-20(8-11-23(22)30)24(31)15-26-13-12-18-6-9-21(10-7-18)27-16-25(32)19-4-2-1-3-5-19/h1-11,14,17,24-27,30-32H,12-13,15-16H2,(H,28,29)/t24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021864 (CHEMBL3298324) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN |r| Show InChI InChI=1S/C33H34N4O4/c1-41-31-14-10-24(18-28(31)25-5-3-2-4-22(25)19-34)36-23-8-6-21(7-9-23)16-17-35-20-30(39)26-11-13-29(38)33-27(26)12-15-32(40)37-33/h2-15,18,30,35-36,38-39H,16-17,19-20,34H2,1H3,(H,37,40)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021873 (CHEMBL3298330) Show SMILES NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C29H34N4O4/c30-16-1-2-18-37-23-9-7-22(8-10-23)32-21-5-3-20(4-6-21)15-17-31-19-27(35)24-11-13-26(34)29-25(24)12-14-28(36)33-29/h3-14,27,31-32,34-35H,1-2,15-19,30H2,(H,33,36)/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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021869 (CHEMBL3298329) Show SMILES NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C28H32N4O4/c29-15-1-17-36-22-8-6-21(7-9-22)31-20-4-2-19(3-5-20)14-16-30-18-26(34)23-10-12-25(33)28-24(23)11-13-27(35)32-28/h2-13,26,30-31,33-34H,1,14-18,29H2,(H,32,35)/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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50018589 (CHEMBL3290999) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 |r| Show InChI InChI=1S/C32H31N3O4/c1-39-30-15-11-24(19-27(30)22-5-3-2-4-6-22)34-23-9-7-21(8-10-23)17-18-33-20-29(37)25-12-14-28(36)32-26(25)13-16-31(38)35-32/h2-16,19,29,33-34,36-37H,17-18,20H2,1H3,(H,35,38)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021875 (CHEMBL3298691) Show SMILES NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C29H34N4O5/c30-14-16-37-17-18-38-23-7-5-22(6-8-23)32-21-3-1-20(2-4-21)13-15-31-19-27(35)24-9-11-26(34)29-25(24)10-12-28(36)33-29/h1-12,27,31-32,34-35H,13-19,30H2,(H,33,36)/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	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021868 (CHEMBL3298328) Show SMILES NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C27H30N4O4/c28-14-16-35-21-7-5-20(6-8-21)30-19-3-1-18(2-4-19)13-15-29-17-25(33)22-9-11-24(32)27-23(22)10-12-26(34)31-27/h1-12,25,29-30,32-33H,13-17,28H2,(H,31,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021885 (CHEMBL3298986) Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C29H34N4O4/c1-29(2,30)18-37-22-9-7-21(8-10-22)32-20-5-3-19(4-6-20)15-16-31-17-26(35)23-11-13-25(34)28-24(23)12-14-27(36)33-28/h3-14,26,31-32,34-35H,15-18,30H2,1-2H3,(H,33,36)/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	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021881 (CHEMBL3298762) Show SMILES O[C@@H](CNCCc1ccc(Nc2ccc(OCCNC(=O)c3ccccc3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C34H34N4O5/c39-30-16-14-28(29-15-17-32(41)38-33(29)30)31(40)22-35-19-18-23-6-8-25(9-7-23)37-26-10-12-27(13-11-26)43-21-20-36-34(42)24-4-2-1-3-5-24/h1-17,31,35,37,39-40H,18-22H2,(H,36,42)(H,38,41)/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021884 (CHEMBL3298897) Show SMILES O[C@@H](CNCCc1ccc(Nc2ccc(OCCN3CCNCC3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C31H37N5O4/c37-28-11-9-26(27-10-12-30(39)35-31(27)28)29(38)21-33-14-13-22-1-3-23(4-2-22)34-24-5-7-25(8-6-24)40-20-19-36-17-15-32-16-18-36/h1-12,29,32-34,37-38H,13-21H2,(H,35,39)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021867 (CHEMBL3298327) Show SMILES CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-2-34-21-9-7-20(8-10-21)29-19-5-3-18(4-6-19)15-16-28-17-25(32)22-11-13-24(31)27-23(22)12-14-26(33)30-27/h3-14,25,28-29,31-32H,2,15-17H2,1H3,(H,30,33)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021877 (CHEMBL3298692) Show SMILES CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C32H38N4O6/c1-32(2,3)42-31(40)34-18-19-41-24-10-8-23(9-11-24)35-22-6-4-21(5-7-22)16-17-33-20-28(38)25-12-14-27(37)30-26(25)13-15-29(39)36-30/h4-15,28,33,35,37-38H,16-20H2,1-3H3,(H,34,40)(H,36,39)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021882 (CHEMBL3298831) Show SMILES O[C@@H](CNCCc1ccc(Nc2ccc(OCCN3CCOCC3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C31H36N4O5/c36-28-11-9-26(27-10-12-30(38)34-31(27)28)29(37)21-32-14-13-22-1-3-23(4-2-22)33-24-5-7-25(8-6-24)40-20-17-35-15-18-39-19-16-35/h1-12,29,32-33,36-37H,13-21H2,(H,34,38)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021889 (CHEMBL3298213) Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)17-35-23-10-8-22(9-11-23)31-21-6-3-19(4-7-21)13-14-29-16-26(34)20-5-12-25(33)24(15-20)30-18-32/h3-12,15,18,26,29,31,33-34H,13-14,16-17,28H2,1-2H3,(H,30,32)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021883 (CHEMBL3298832) Show SMILES CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 |r| Show InChI InChI=1S/C32H39N5O6S/c1-44(41,42)37-18-16-36(17-19-37)20-21-43-26-8-6-25(7-9-26)34-24-4-2-23(3-5-24)14-15-33-22-30(39)27-10-12-29(38)32-28(27)11-13-31(40)35-32/h2-13,30,33-34,38-39H,14-22H2,1H3,(H,35,40)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM86453 (CAS_73573-87-2 | Formoterol | NSC_3083544) Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM86453 (CAS_73573-87-2 | Formoterol | NSC_3083544) Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50018589 (CHEMBL3290999) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 |r| Show InChI InChI=1S/C32H31N3O4/c1-39-30-15-11-24(19-27(30)22-5-3-2-4-6-22)34-23-9-7-21(8-10-23)17-18-33-20-29(37)25-12-14-28(36)32-26(25)13-16-31(38)35-32/h2-16,19,29,33-34,36-37H,17-18,20H2,1H3,(H,35,38)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.398	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021864 (CHEMBL3298324) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN |r| Show InChI InChI=1S/C33H34N4O4/c1-41-31-14-10-24(18-28(31)25-5-3-2-4-22(25)19-34)36-23-8-6-21(7-9-23)16-17-35-20-30(39)26-11-13-29(38)33-27(26)12-15-32(40)37-33/h2-15,18,30,35-36,38-39H,16-17,19-20,34H2,1H3,(H,37,40)/t30-/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
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021865 (CHEMBL3298325) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 |r| Show InChI InChI=1S/C33H34N4O4/c1-41-31-13-9-25(18-28(31)23-4-2-3-22(17-23)19-34)36-24-7-5-21(6-8-24)15-16-35-20-30(39)26-10-12-29(38)33-27(26)11-14-32(40)37-33/h2-14,17-18,30,35-36,38-39H,15-16,19-20,34H2,1H3,(H,37,40)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.316	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021866 (CHEMBL3298326) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C33H34N4O4/c1-41-31-14-10-25(18-28(31)23-6-2-22(19-34)3-7-23)36-24-8-4-21(5-9-24)16-17-35-20-30(39)26-11-13-29(38)33-27(26)12-15-32(40)37-33/h2-15,18,30,35-36,38-39H,16-17,19-20,34H2,1H3,(H,37,40)/t30-/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	0.501	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419652 (MILVETEROL) Show SMILES O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c1ccc(O)c(NC=O)c1 |r| Show InChI InChI=1S/C25H29N3O4/c29-17-28-22-14-20(8-11-23(22)30)24(31)15-26-13-12-18-6-9-21(10-7-18)27-16-25(32)19-4-2-1-3-5-19/h1-11,14,17,24-27,30-32H,12-13,15-16H2,(H,28,29)/t24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.501	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021867 (CHEMBL3298327) Show SMILES CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-2-34-21-9-7-20(8-10-21)29-19-5-3-18(4-6-19)15-16-28-17-25(32)22-11-13-24(31)27-23(22)12-14-26(33)30-27/h3-14,25,28-29,31-32H,2,15-17H2,1H3,(H,30,33)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021868 (CHEMBL3298328) Show SMILES NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C27H30N4O4/c28-14-16-35-21-7-5-20(6-8-21)30-19-3-1-18(2-4-19)13-15-29-17-25(33)22-9-11-24(32)27-23(22)10-12-26(34)31-27/h1-12,25,29-30,32-33H,13-17,28H2,(H,31,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.501	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021869 (CHEMBL3298329) Show SMILES NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C28H32N4O4/c29-15-1-17-36-22-8-6-21(7-9-22)31-20-4-2-19(3-5-20)14-16-30-18-26(34)23-10-12-25(33)28-24(23)11-13-27(35)32-28/h2-13,26,30-31,33-34H,1,14-18,29H2,(H,32,35)/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
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021873 (CHEMBL3298330) Show SMILES NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C29H34N4O4/c30-16-1-2-18-37-23-9-7-22(8-10-23)32-21-5-3-20(4-6-21)15-17-31-19-27(35)24-11-13-26(34)29-25(24)12-14-28(36)33-29/h3-14,27,31-32,34-35H,1-2,15-19,30H2,(H,33,36)/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
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021875 (CHEMBL3298691) Show SMILES NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C29H34N4O5/c30-14-16-37-17-18-38-23-7-5-22(6-8-23)32-21-3-1-20(2-4-21)13-15-31-19-27(35)24-9-11-26(34)29-25(24)10-12-28(36)33-29/h1-12,27,31-32,34-35H,13-19,30H2,(H,33,36)/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
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021877 (CHEMBL3298692) Show SMILES CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C32H38N4O6/c1-32(2,3)42-31(40)34-18-19-41-24-10-8-23(9-11-24)35-22-6-4-21(5-7-22)16-17-33-20-28(38)25-12-14-27(37)30-26(25)13-15-29(39)36-30/h4-15,28,33,35,37-38H,16-20H2,1-3H3,(H,34,40)(H,36,39)/t28-/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
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021881 (CHEMBL3298762) Show SMILES O[C@@H](CNCCc1ccc(Nc2ccc(OCCNC(=O)c3ccccc3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C34H34N4O5/c39-30-16-14-28(29-15-17-32(41)38-33(29)30)31(40)22-35-19-18-23-6-8-25(9-7-23)37-26-10-12-27(13-11-26)43-21-20-36-34(42)24-4-2-1-3-5-24/h1-17,31,35,37,39-40H,18-22H2,(H,36,42)(H,38,41)/t31-/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	1.60	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021882 (CHEMBL3298831) Show SMILES O[C@@H](CNCCc1ccc(Nc2ccc(OCCN3CCOCC3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C31H36N4O5/c36-28-11-9-26(27-10-12-30(38)34-31(27)28)29(37)21-32-14-13-22-1-3-23(4-2-22)33-24-5-7-25(8-6-24)40-20-17-35-15-18-39-19-16-35/h1-12,29,32-33,36-37H,13-21H2,(H,34,38)/t29-/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	3.20	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021883 (CHEMBL3298832) Show SMILES CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 |r| Show InChI InChI=1S/C32H39N5O6S/c1-44(41,42)37-18-16-36(17-19-37)20-21-43-26-8-6-25(7-9-26)34-24-4-2-23(3-5-24)14-15-33-22-30(39)27-10-12-29(38)32-28(27)11-13-31(40)35-32/h2-13,30,33-34,38-39H,14-22H2,1H3,(H,35,40)/t30-/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	6.30	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021884 (CHEMBL3298897) Show SMILES O[C@@H](CNCCc1ccc(Nc2ccc(OCCN3CCNCC3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C31H37N5O4/c37-28-11-9-26(27-10-12-30(39)35-31(27)28)29(38)21-33-14-13-22-1-3-23(4-2-22)34-24-5-7-25(8-6-24)40-20-19-36-17-15-32-16-18-36/h1-12,29,32-34,37-38H,13-21H2,(H,35,39)/t29-/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	1.60	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021885 (CHEMBL3298986) Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C29H34N4O4/c1-29(2,30)18-37-22-9-7-21(8-10-22)32-20-5-3-19(4-6-20)15-16-31-17-26(35)23-11-13-25(34)28-24(23)12-14-27(36)33-28/h3-14,26,31-32,34-35H,15-18,30H2,1-2H3,(H,33,36)/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	1	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021888 (CHEMBL3298987) Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 |r| Show InChI InChI=1S/C35H38N4O4/c1-35(2,36)22-43-32-16-12-26(20-29(32)24-6-4-3-5-7-24)38-25-10-8-23(9-11-25)18-19-37-21-31(41)27-13-15-30(40)34-28(27)14-17-33(42)39-34/h3-17,20,31,37-38,40-41H,18-19,21-22,36H2,1-2H3,(H,39,42)/t31-/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
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50021889 (CHEMBL3298213) Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)17-35-23-10-8-22(9-11-23)31-21-6-3-19(4-7-21)13-14-29-16-26(34)20-5-12-25(33)24(15-20)30-18-32/h3-12,15,18,26,29,31,33-34H,13-14,16-17,28H2,1-2H3,(H,30,32)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					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	251	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM86453 (CAS_73573-87-2 | Formoterol | NSC_3083544) Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50018589 (CHEMBL3290999) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 |r| Show InChI InChI=1S/C32H31N3O4/c1-39-30-15-11-24(19-27(30)22-5-3-2-4-6-22)34-23-9-7-21(8-10-23)17-18-33-20-29(37)25-12-14-28(36)32-26(25)13-16-31(38)35-32/h2-16,19,29,33-34,36-37H,17-18,20H2,1H3,(H,35,38)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50021864 (CHEMBL3298324) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN |r| Show InChI InChI=1S/C33H34N4O4/c1-41-31-14-10-24(18-28(31)25-5-3-2-4-22(25)19-34)36-23-8-6-21(7-9-23)16-17-35-20-30(39)26-11-13-29(38)33-27(26)12-15-32(40)37-33/h2-15,18,30,35-36,38-39H,16-17,19-20,34H2,1H3,(H,37,40)/t30-/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	2.5	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50021865 (CHEMBL3298325) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 |r| Show InChI InChI=1S/C33H34N4O4/c1-41-31-13-9-25(18-28(31)23-4-2-3-22(17-23)19-34)36-24-7-5-21(6-8-24)15-16-35-20-30(39)26-10-12-29(38)33-27(26)11-14-32(40)37-33/h2-14,17-18,30,35-36,38-39H,15-16,19-20,34H2,1H3,(H,37,40)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50021866 (CHEMBL3298326) Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C33H34N4O4/c1-41-31-14-10-25(18-28(31)23-6-2-22(19-34)3-7-23)36-24-8-4-21(5-9-24)16-17-35-20-30(39)26-11-13-29(38)33-27(26)12-15-32(40)37-33/h2-15,18,30,35-36,38-39H,16-17,19-20,34H2,1H3,(H,37,40)/t30-/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	2.5	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419652 (MILVETEROL) Show SMILES O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c1ccc(O)c(NC=O)c1 |r| Show InChI InChI=1S/C25H29N3O4/c29-17-28-22-14-20(8-11-23(22)30)24(31)15-26-13-12-18-6-9-21(10-7-18)27-16-25(32)19-4-2-1-3-5-19/h1-11,14,17,24-27,30-32H,12-13,15-16H2,(H,28,29)/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50021868 (CHEMBL3298328) Show SMILES NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C27H30N4O4/c28-14-16-35-21-7-5-20(6-8-21)30-19-3-1-18(2-4-19)13-15-29-17-25(33)22-9-11-24(32)27-23(22)10-12-26(34)31-27/h1-12,25,29-30,32-33H,13-17,28H2,(H,31,34)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50021869 (CHEMBL3298329) Show SMILES NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C28H32N4O4/c29-15-1-17-36-22-8-6-21(7-9-22)31-20-4-2-19(3-5-20)14-16-30-18-26(34)23-10-12-25(33)28-24(23)11-13-27(35)32-28/h2-13,26,30-31,33-34H,1,14-18,29H2,(H,32,35)/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	7.90	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50021873 (CHEMBL3298330) Show SMILES NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C29H34N4O4/c30-16-1-2-18-37-23-9-7-22(8-10-23)32-21-5-3-20(4-6-21)15-17-31-19-27(35)24-11-13-26(34)29-25(24)12-14-28(36)33-29/h3-14,27,31-32,34-35H,1-2,15-19,30H2,(H,33,36)/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	7.90	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50021875 (CHEMBL3298691) Show SMILES NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r| Show InChI InChI=1S/C29H34N4O5/c30-14-16-37-17-18-38-23-7-5-22(6-8-23)32-21-3-1-20(2-4-21)13-15-31-19-27(35)24-9-11-26(34)29-25(24)10-12-28(36)33-29/h1-12,27,31-32,34-35H,13-19,30H2,(H,33,36)/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	7.90	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay				Bioorg Med Chem Lett 24: 2871-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT
					More data for this Ligand-Target Pair

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