Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50013342   

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))	BDBM50129452 ((S)-1-[1-(4-Butoxy-benzenesulfonyl)-piperidin-4-yl...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C30H37N3O5S/c1-2-3-19-37-24-11-13-25(14-12-24)39(35,36)33-17-15-22(16-18-33)31-20-23(34)21-38-29-10-6-9-28-30(29)26-7-4-5-8-27(26)32-28/h4-14,22-23,31-32,34H,2-3,15-21H2,1H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta2-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129459 ((S)-1-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-yla...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C28H33N3O5S/c1-2-3-15-35-22-11-13-23(14-12-22)37(33,34)31-17-20(18-31)29-16-21(32)19-36-27-10-6-9-26-28(27)24-7-4-5-8-25(24)30-26/h4-14,20-21,29-30,32H,2-3,15-19H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50129450 ((S)-1-(9H-Carbazol-4-yloxy)-3-[1-(3,4-dimethoxy-be...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C28H33N3O6S/c1-35-25-11-10-21(16-27(25)36-2)38(33,34)31-14-12-19(13-15-31)29-17-20(32)18-37-26-9-5-8-24-28(26)22-6-3-4-7-23(22)30-24/h3-11,16,19-20,29-30,32H,12-15,17-18H2,1-2H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta2-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50129443 (4-{(S)-2-Hydroxy-3-[1-(4-methoxy-benzenesulfonyl)-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C22H28N4O6S/c1-31-17-5-7-18(8-6-17)33(29,30)26-11-9-15(10-12-26)23-13-16(27)14-32-20-4-2-3-19-21(20)25-22(28)24-19/h2-8,15-16,23,27H,9-14H2,1H3,(H2,24,25,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta2-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50129454 (CHEMBL68766 | N-[5-((R)-2-{1-[4-(3-Hexyl-ureido)-b...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H41N5O7S2/c1-3-4-5-6-15-28-27(35)30-22-8-10-23(11-9-22)41(38,39)32-16-13-21(14-17-32)29-19-26(34)20-7-12-25(33)24(18-20)31-40(2,36)37/h7-12,18,21,26,29,31,33-34H,3-6,13-17,19H2,1-2H3,(H2,28,30,35)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta2-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50129441 (4-{(S)-3-[1-(3,4-Dimethoxy-benzenesulfonyl)-piperi...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C23H30N4O7S/c1-32-19-7-6-17(12-21(19)33-2)35(30,31)27-10-8-15(9-11-27)24-13-16(28)14-34-20-5-3-4-18-22(20)26-23(29)25-18/h3-7,12,15-16,24,28H,8-11,13-14H2,1-2H3,(H2,25,26,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta2-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50129445 (4-{(S)-2-Hydroxy-3-[1-(4-methoxy-benzenesulfonyl)-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1ccc(O)cc1 Show InChI InChI=1S/C21H28N2O6S/c1-28-19-6-8-21(9-7-19)30(26,27)23-12-10-16(11-13-23)22-14-18(25)15-29-20-4-2-17(24)3-5-20/h2-9,16,18,22,24-25H,10-15H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta2-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50129442 ((S)-1-(9H-Carbazol-4-yloxy)-3-[1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C27H31N3O5S/c1-34-21-9-11-22(12-10-21)36(32,33)30-15-13-19(14-16-30)28-17-20(31)18-35-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,19-20,28-29,31H,13-18H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta2-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129441 (4-{(S)-3-[1-(3,4-Dimethoxy-benzenesulfonyl)-piperi...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C23H30N4O7S/c1-32-19-7-6-17(12-21(19)33-2)35(30,31)27-10-8-15(9-11-27)24-13-16(28)14-34-20-5-3-4-18-22(20)26-23(29)25-18/h3-7,12,15-16,24,28H,8-11,13-14H2,1-2H3,(H2,25,26,29)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50129442 ((S)-1-(9H-Carbazol-4-yloxy)-3-[1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C27H31N3O5S/c1-34-21-9-11-22(12-10-21)36(32,33)30-15-13-19(14-16-30)28-17-20(31)18-35-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,19-20,28-29,31H,13-18H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta1-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129444 (4-{(S)-3-[1-(Dibenzofuran-2-sulfonyl)-piperidin-4-...) Show SMILES O[C@@H](CNC1CCN(CC1)S(=O)(=O)c1ccc2oc3ccccc3c2c1)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C27H28N4O6S/c32-18(16-36-25-7-3-5-22-26(25)30-27(33)29-22)15-28-17-10-12-31(13-11-17)38(34,35)19-8-9-24-21(14-19)20-4-1-2-6-23(20)37-24/h1-9,14,17-18,28,32H,10-13,15-16H2,(H2,29,30,33)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129446 (4-{(S)-3-[1-(4-Butoxy-benzenesulfonyl)-piperidin-4...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1ccc(O)cc1 Show InChI InChI=1S/C24H34N2O6S/c1-2-3-16-31-22-8-10-24(11-9-22)33(29,30)26-14-12-19(13-15-26)25-17-21(28)18-32-23-6-4-20(27)5-7-23/h4-11,19,21,25,27-28H,2-3,12-18H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129448 (1-Hexyl-3-(4-{4-[(S)-2-hydroxy-3-(2-oxo-2,3-dihydr...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C28H40N6O6S/c1-2-3-4-5-15-29-27(36)31-21-9-11-23(12-10-21)41(38,39)34-16-13-20(14-17-34)30-18-22(35)19-40-25-8-6-7-24-26(25)33-28(37)32-24/h6-12,20,22,30,35H,2-5,13-19H2,1H3,(H2,29,31,36)(H2,32,33,37)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129447 (4-{(R)-2-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C21H28N2O5S/c1-2-3-12-28-19-8-10-20(11-9-19)29(26,27)23-14-17(15-23)22-13-21(25)16-4-6-18(24)7-5-16/h4-11,17,21-22,24-25H,2-3,12-15H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129449 (CHEMBL304346 | N-(5-{(R)-2-[1-(Dibenzofuran-2-sulf...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)S(=O)(=O)c1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C26H29N3O7S2/c1-37(32,33)28-22-14-17(6-8-23(22)30)24(31)16-27-18-10-12-29(13-11-18)38(34,35)19-7-9-26-21(15-19)20-4-2-3-5-25(20)36-26/h2-9,14-15,18,24,27-28,30-31H,10-13,16H2,1H3/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129443 (4-{(S)-2-Hydroxy-3-[1-(4-methoxy-benzenesulfonyl)-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C22H28N4O6S/c1-31-17-5-7-18(8-6-17)33(29,30)26-11-9-15(10-12-26)23-13-16(27)14-32-20-4-2-3-19-21(20)25-22(28)24-19/h2-8,15-16,23,27H,9-14H2,1H3,(H2,24,25,28)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129445 (4-{(S)-2-Hydroxy-3-[1-(4-methoxy-benzenesulfonyl)-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1ccc(O)cc1 Show InChI InChI=1S/C21H28N2O6S/c1-28-19-6-8-21(9-7-19)30(26,27)23-12-10-16(11-13-23)22-14-18(25)15-29-20-4-2-17(24)3-5-20/h2-9,16,18,22,24-25H,10-15H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50129450 ((S)-1-(9H-Carbazol-4-yloxy)-3-[1-(3,4-dimethoxy-be...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C28H33N3O6S/c1-35-25-11-10-21(16-27(25)36-2)38(33,34)31-14-12-19(13-15-31)29-17-20(32)18-37-26-9-5-8-24-28(26)22-6-3-4-7-23(22)30-24/h3-11,16,19-20,29-30,32H,12-15,17-18H2,1-2H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta1-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129451 (CHEMBL73557 | N-(5-{(R)-2-[1-(4-Butoxy-benzenesulf...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCC(C1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C23H33N3O7S2/c1-3-4-13-33-19-6-8-20(9-7-19)35(31,32)26-12-11-18(16-26)24-15-23(28)17-5-10-22(27)21(14-17)25-34(2,29)30/h5-10,14,18,23-25,27-28H,3-4,11-13,15-16H2,1-2H3/t18?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50129445 (4-{(S)-2-Hydroxy-3-[1-(4-methoxy-benzenesulfonyl)-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1ccc(O)cc1 Show InChI InChI=1S/C21H28N2O6S/c1-28-19-6-8-21(9-7-19)30(26,27)23-12-10-16(11-13-23)22-14-18(25)15-29-20-4-2-17(24)3-5-20/h2-9,16,18,22,24-25H,10-15H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta1-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129442 ((S)-1-(9H-Carbazol-4-yloxy)-3-[1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C27H31N3O5S/c1-34-21-9-11-22(12-10-21)36(32,33)30-15-13-19(14-16-30)28-17-20(31)18-35-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,19-20,28-29,31H,13-18H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50129452 ((S)-1-[1-(4-Butoxy-benzenesulfonyl)-piperidin-4-yl...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C30H37N3O5S/c1-2-3-19-37-24-11-13-25(14-12-24)39(35,36)33-17-15-22(16-18-33)31-20-23(34)21-38-29-10-6-9-28-30(29)26-7-4-5-8-27(26)32-28/h4-14,22-23,31-32,34H,2-3,15-21H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta1-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129454 (CHEMBL68766 | N-[5-((R)-2-{1-[4-(3-Hexyl-ureido)-b...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H41N5O7S2/c1-3-4-5-6-15-28-27(35)30-22-8-10-23(11-9-22)41(38,39)32-16-13-21(14-17-32)29-19-26(34)20-7-12-25(33)24(18-20)31-40(2,36)37/h7-12,18,21,26,29,31,33-34H,3-6,13-17,19H2,1-2H3,(H2,28,30,35)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129453 ((S)-1-(9H-Carbazol-4-yloxy)-3-{1-[4-(2,2-dimethyl-...) Show SMILES CC(C)(C)Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C31H39N3O4S/c1-31(2,3)19-22-11-13-25(14-12-22)39(36,37)34-17-15-23(16-18-34)32-20-24(35)21-38-29-10-6-9-28-30(29)26-7-4-5-8-27(26)33-28/h4-14,23-24,32-33,35H,15-21H2,1-3H3/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129450 ((S)-1-(9H-Carbazol-4-yloxy)-3-[1-(3,4-dimethoxy-be...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C28H33N3O6S/c1-35-25-11-10-21(16-27(25)36-2)38(33,34)31-14-12-19(13-15-31)29-17-20(32)18-37-26-9-5-8-24-28(26)22-6-3-4-7-23(22)30-24/h3-11,16,19-20,29-30,32H,12-15,17-18H2,1-2H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50129447 (4-{(R)-2-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C21H28N2O5S/c1-2-3-12-28-19-8-10-20(11-9-19)29(26,27)23-14-17(15-23)22-13-21(25)16-4-6-18(24)7-5-16/h4-11,17,21-22,24-25H,2-3,12-15H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta1-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129455 (CHEMBL302597 | N-(5-{(R)-2-[1-(4-Butoxy-benzenesul...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C22H31N3O7S2/c1-3-4-11-32-18-6-8-19(9-7-18)34(30,31)25-14-17(15-25)23-13-22(27)16-5-10-21(26)20(12-16)24-33(2,28)29/h5-10,12,17,22-24,26-27H,3-4,11,13-15H2,1-2H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129456 ((S)-1-[1-(4-Butoxy-benzenesulfonyl)-pyrrolidin-3-y...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCC(C1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C29H35N3O5S/c1-2-3-17-36-23-11-13-24(14-12-23)38(34,35)32-16-15-21(19-32)30-18-22(33)20-37-28-10-6-9-27-29(28)25-7-4-5-8-26(25)31-27/h4-14,21-22,30-31,33H,2-3,15-20H2,1H3/t21?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50129454 (CHEMBL68766 | N-[5-((R)-2-{1-[4-(3-Hexyl-ureido)-b...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H41N5O7S2/c1-3-4-5-6-15-28-27(35)30-22-8-10-23(11-9-22)41(38,39)32-16-13-21(14-17-32)29-19-26(34)20-7-12-25(33)24(18-20)31-40(2,36)37/h7-12,18,21,26,29,31,33-34H,3-6,13-17,19H2,1-2H3,(H2,28,30,35)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta1-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129452 ((S)-1-[1-(4-Butoxy-benzenesulfonyl)-piperidin-4-yl...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C30H37N3O5S/c1-2-3-19-37-24-11-13-25(14-12-24)39(35,36)33-17-15-22(16-18-33)31-20-23(34)21-38-29-10-6-9-28-30(29)26-7-4-5-8-27(26)32-28/h4-14,22-23,31-32,34H,2-3,15-21H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	850	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129457 (4-{(S)-3-[1-(Benzo[1,2,5]thiadiazole-4-sulfonyl)-p...) Show SMILES O[C@@H](CNC1CCN(CC1)S(=O)(=O)c1cccc2nsnc12)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C21H24N6O5S2/c28-14(12-32-17-5-1-3-15-19(17)24-21(29)23-15)11-22-13-7-9-27(10-8-13)34(30,31)18-6-2-4-16-20(18)26-33-25-16/h1-6,13-14,22,28H,7-12H2,(H2,23,24,29)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	850	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50129441 (4-{(S)-3-[1-(3,4-Dimethoxy-benzenesulfonyl)-piperi...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C23H30N4O7S/c1-32-19-7-6-17(12-21(19)33-2)35(30,31)27-10-8-15(9-11-27)24-13-16(28)14-34-20-5-3-4-18-22(20)26-23(29)25-18/h3-7,12,15-16,24,28H,8-11,13-14H2,1-2H3,(H2,25,26,29)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta1-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50129443 (4-{(S)-2-Hydroxy-3-[1-(4-methoxy-benzenesulfonyl)-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C22H28N4O6S/c1-31-17-5-7-18(8-6-17)33(29,30)26-11-9-15(10-12-26)23-13-16(27)14-32-20-4-2-3-19-21(20)25-22(28)24-19/h2-8,15-16,23,27H,9-14H2,1H3,(H2,24,25,28)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta1-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50129458 (1-Hexyl-3-(4-{4-[(S)-2-hydroxy-3-(4-hydroxy-phenox...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1ccc(O)cc1 Show InChI InChI=1S/C27H40N4O6S/c1-2-3-4-5-16-28-27(34)30-22-6-12-26(13-7-22)38(35,36)31-17-14-21(15-18-31)29-19-24(33)20-37-25-10-8-23(32)9-11-25/h6-13,21,24,29,32-33H,2-5,14-20H2,1H3,(H2,28,30,34)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta3-AR (beta3-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50129447 (4-{(R)-2-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C21H28N2O5S/c1-2-3-12-28-19-8-10-20(11-9-19)29(26,27)23-14-17(15-23)22-13-21(25)16-4-6-18(24)7-5-16/h4-11,17,21-22,24-25H,2-3,12-15H2,1H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonistic activity against cloned human beta1-AR (beta2-adrenergic receptor) in CHO cells				Bioorg Med Chem Lett 13: 2191-4 (2003) BindingDB Entry DOI: 10.7270/Q2X63M9P
					More data for this Ligand-Target Pair