Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50037014   

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))	BDBM50098668 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-1,3-dihydr...) Show SMILES CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098668 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-1,3-dihydr...) Show SMILES CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070156 ((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098662 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C30H36N4O7S/c1-42(40,41)33-25-18-22(9-12-27(25)35)28(36)19-31-23-13-15-34(16-14-23)24-10-7-21(8-11-24)29(37)32-26(30(38)39)17-20-5-3-2-4-6-20/h2-12,18,23,26,28,31,33,35-36H,13-17,19H2,1H3,(H,32,37)(H,38,39)/t26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070156 ((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098659 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C27H38N4O7S/c1-17(2)14-23(27(35)36)29-26(34)18-4-7-21(8-5-18)31-12-10-20(11-13-31)28-16-25(33)19-6-9-24(32)22(15-19)30-39(3,37)38/h4-9,15,17,20,23,25,28,30,32-33H,10-14,16H2,1-3H3,(H,29,34)(H,35,36)/t23-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098661 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C26H36N4O7S/c1-16(2)24(26(34)35)28-25(33)17-4-7-20(8-5-17)30-12-10-19(11-13-30)27-15-23(32)18-6-9-22(31)21(14-18)29-38(3,36)37/h4-9,14,16,19,23-24,27,29,31-32H,10-13,15H2,1-3H3,(H,28,33)(H,34,35)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098654 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-16(4-7-20(19)28)21(29)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)23(32)25-14-22(30)31/h2-7,12,17,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,32)(H,30,31)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50002134 (5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...) Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098654 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-16(4-7-20(19)28)21(29)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)23(32)25-14-22(30)31/h2-7,12,17,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,32)(H,30,31)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098658 (CHEMBL418600 | N-Butyl-N-(4-{4-[2-hydroxy-2-(4-hyd...) Show SMILES CCCCN(C(=O)CC(O)=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H38N4O7S/c1-3-4-13-31(26(34)17-27(35)36)22-8-6-21(7-9-22)30-14-11-20(12-15-30)28-18-25(33)19-5-10-24(32)23(16-19)29-39(2,37)38/h5-10,16,20,25,28-29,32-33H,3-4,11-15,17-18H2,1-2H3,(H,35,36)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098661 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C26H36N4O7S/c1-16(2)24(26(34)35)28-25(33)17-4-7-20(8-5-17)30-12-10-19(11-13-30)27-15-23(32)18-6-9-22(31)21(14-18)29-38(3,36)37/h4-9,14,16,19,23-24,27,29,31-32H,10-13,15H2,1-3H3,(H,28,33)(H,34,35)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098662 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C30H36N4O7S/c1-42(40,41)33-25-18-22(9-12-27(25)35)28(36)19-31-23-13-15-34(16-14-23)24-10-7-21(8-11-24)29(37)32-26(30(38)39)17-20-5-3-2-4-6-20/h2-12,18,23,26,28,31,33,35-36H,13-17,19H2,1H3,(H,32,37)(H,38,39)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098659 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C27H38N4O7S/c1-17(2)14-23(27(35)36)29-26(34)18-4-7-21(8-5-18)31-12-10-20(11-13-31)28-16-25(33)19-6-9-24(32)22(15-19)30-39(3,37)38/h4-9,15,17,20,23,25,28,30,32-33H,10-14,16H2,1-3H3,(H,29,34)(H,35,36)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50002134 (5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...) Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098658 (CHEMBL418600 | N-Butyl-N-(4-{4-[2-hydroxy-2-(4-hyd...) Show SMILES CCCCN(C(=O)CC(O)=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H38N4O7S/c1-3-4-13-31(26(34)17-27(35)36)22-8-6-21(7-9-22)30-14-11-20(12-15-30)28-18-25(33)19-5-10-24(32)23(16-19)29-39(2,37)38/h5-10,16,20,25,28-29,32-33H,3-4,11-15,17-18H2,1-2H3,(H,35,36)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50026892 (CHEMBL2113344) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C24H32N4O7S/c1-36(34,35)27-20-14-17(4-7-21(20)29)22(30)15-26-18-9-12-28(13-10-18)19-5-2-16(3-6-19)24(33)25-11-8-23(31)32/h2-7,14,18,22,26-27,29-30H,8-13,15H2,1H3,(H,25,33)(H,31,32)/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	260	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098660 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CCOC(=O)CNC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C25H34N4O7S/c1-3-36-24(32)16-27-25(33)17-4-7-20(8-5-17)29-12-10-19(11-13-29)26-15-23(31)18-6-9-22(30)21(14-18)28-37(2,34)35/h4-9,14,19,23,26,28,30-31H,3,10-13,15-16H2,1-2H3,(H,27,33)/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	3.20E+3	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098656 (CHEMBL35500 | [Butyl-(4-{4-[2-hydroxy-2-(4-hydroxy...) Show SMILES CCCCN(c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C26H38N4O8S2/c1-3-4-13-30(40(37,38)18-26(33)34)22-8-6-21(7-9-22)29-14-11-20(12-15-29)27-17-25(32)19-5-10-24(31)23(16-19)28-39(2,35)36/h5-10,16,20,25,27-28,31-32H,3-4,11-15,17-18H2,1-2H3,(H,33,34)/t25-/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	4	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098657 (4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamin...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H27N3O6S/c1-31(29,30)23-18-12-15(4-7-19(18)25)20(26)13-22-16-8-10-24(11-9-16)17-5-2-14(3-6-17)21(27)28/h2-7,12,16,20,22-23,25-26H,8-11,13H2,1H3,(H,27,28)/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	4.87E+4	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098659 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C27H38N4O7S/c1-17(2)14-23(27(35)36)29-26(34)18-4-7-21(8-5-18)31-12-10-20(11-13-31)28-16-25(33)19-6-9-24(32)22(15-19)30-39(3,37)38/h4-9,15,17,20,23,25,28,30,32-33H,10-14,16H2,1-3H3,(H,29,34)(H,35,36)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50070156 ((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098661 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C26H36N4O7S/c1-16(2)24(26(34)35)28-25(33)17-4-7-20(8-5-17)30-12-10-19(11-13-30)27-15-23(32)18-6-9-22(31)21(14-18)29-38(3,36)37/h4-9,14,16,19,23-24,27,29,31-32H,10-13,15H2,1-3H3,(H,28,33)(H,34,35)/t23-,24-/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+4	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098663 (4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamin...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H28N4O5S/c1-31(29,30)24-18-12-15(4-7-19(18)26)20(27)13-23-16-8-10-25(11-9-16)17-5-2-14(3-6-17)21(22)28/h2-7,12,16,20,23-24,26-27H,8-11,13H2,1H3,(H2,22,28)/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-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098661 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C26H36N4O7S/c1-16(2)24(26(34)35)28-25(33)17-4-7-20(8-5-17)30-12-10-19(11-13-30)27-15-23(32)18-6-9-22(31)21(14-18)29-38(3,36)37/h4-9,14,16,19,23-24,27,29,31-32H,10-13,15H2,1-3H3,(H,28,33)(H,34,35)/t23-,24-/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	26	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098665 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C22H29N3O6S/c1-32(30,31)24-19-13-16(4-7-20(19)26)21(27)14-23-17-8-10-25(11-9-17)18-5-2-15(3-6-18)12-22(28)29/h2-7,13,17,21,23-24,26-27H,8-12,14H2,1H3,(H,28,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098667 (CHEMBL32521 | [Butyl-(4-{4-[2-hydroxy-2-(4-hydroxy...) Show SMILES CCCCN(CC(O)=O)C(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H38N4O7S/c1-3-4-13-31(18-26(34)35)27(36)19-5-8-22(9-6-19)30-14-11-21(12-15-30)28-17-25(33)20-7-10-24(32)23(16-20)29-39(2,37)38/h5-10,16,21,25,28-29,32-33H,3-4,11-15,17-18H2,1-2H3,(H,34,35)/t25-/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-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098654 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-16(4-7-20(19)28)21(29)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)23(32)25-14-22(30)31/h2-7,12,17,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,32)(H,30,31)/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	50	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098660 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CCOC(=O)CNC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C25H34N4O7S/c1-3-36-24(32)16-27-25(33)17-4-7-20(8-5-17)29-12-10-19(11-13-29)26-15-23(31)18-6-9-22(30)21(14-18)28-37(2,34)35/h4-9,14,19,23,26,28,30-31H,3,10-13,15-16H2,1-2H3,(H,27,33)/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	4.50E+3	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098653 (CHEMBL284612 | N-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-m...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(NC(=O)CC(O)=O)cc1 Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-15(2-7-20(19)28)21(29)14-24-16-8-10-27(11-9-16)18-5-3-17(4-6-18)25-22(30)13-23(31)32/h2-7,12,16,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,30)(H,31,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098659 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C27H38N4O7S/c1-17(2)14-23(27(35)36)29-26(34)18-4-7-21(8-5-18)31-12-10-20(11-13-31)28-16-25(33)19-6-9-24(32)22(15-19)30-39(3,37)38/h4-9,15,17,20,23,25,28,30,32-33H,10-14,16H2,1-3H3,(H,29,34)(H,35,36)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098654 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-16(4-7-20(19)28)21(29)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)23(32)25-14-22(30)31/h2-7,12,17,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,32)(H,30,31)/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	60	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098669 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C26H34N4O9S/c1-40(38,39)29-21-14-17(4-8-22(21)31)23(32)15-27-18-10-12-30(13-11-18)19-5-2-16(3-6-19)25(35)28-20(26(36)37)7-9-24(33)34/h2-6,8,14,18,20,23,27,29,31-32H,7,9-13,15H2,1H3,(H,28,35)(H,33,34)(H,36,37)/t20-,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	92	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098663 (4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamin...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H28N4O5S/c1-31(29,30)24-18-12-15(4-7-19(18)26)20(27)13-23-16-8-10-25(11-9-16)17-5-2-14(3-6-17)21(22)28/h2-7,12,16,20,23-24,26-27H,8-11,13H2,1H3,(H2,22,28)/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	1.20E+3	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098670 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(COCC(O)=O)cc1 Show InChI InChI=1S/C23H31N3O7S/c1-34(31,32)25-20-12-17(4-7-21(20)27)22(28)13-24-18-8-10-26(11-9-18)19-5-2-16(3-6-19)14-33-15-23(29)30/h2-7,12,18,22,24-25,27-28H,8-11,13-15H2,1H3,(H,29,30)/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	1.60E+3	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098667 (CHEMBL32521 | [Butyl-(4-{4-[2-hydroxy-2-(4-hydroxy...) Show SMILES CCCCN(CC(O)=O)C(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H38N4O7S/c1-3-4-13-31(18-26(34)35)27(36)19-5-8-22(9-6-19)30-14-11-21(12-15-30)28-17-25(33)20-7-10-24(32)23(16-20)29-39(2,37)38/h5-10,16,21,25,28-29,32-33H,3-4,11-15,17-18H2,1-2H3,(H,34,35)/t25-/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+3	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098662 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C30H36N4O7S/c1-42(40,41)33-25-18-22(9-12-27(25)35)28(36)19-31-23-13-15-34(16-14-23)24-10-7-21(8-11-24)29(37)32-26(30(38)39)17-20-5-3-2-4-6-20/h2-12,18,23,26,28,31,33,35-36H,13-17,19H2,1H3,(H,32,37)(H,38,39)/t26-,28-/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	4.37E+4	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098671 (3-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C23H31N3O6S/c1-33(31,32)25-20-14-17(5-8-21(20)27)22(28)15-24-18-10-12-26(13-11-18)19-6-2-16(3-7-19)4-9-23(29)30/h2-3,5-8,14,18,22,24-25,27-28H,4,9-13,15H2,1H3,(H,29,30)/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	9.80E+3	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098658 (CHEMBL418600 | N-Butyl-N-(4-{4-[2-hydroxy-2-(4-hyd...) Show SMILES CCCCN(C(=O)CC(O)=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H38N4O7S/c1-3-4-13-31(26(34)17-27(35)36)22-8-6-21(7-9-22)30-14-11-20(12-15-30)28-18-25(33)19-5-10-24(32)23(16-19)29-39(2,37)38/h5-10,16,20,25,28-29,32-33H,3-4,11-15,17-18H2,1-2H3,(H,35,36)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098671 (3-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C23H31N3O6S/c1-33(31,32)25-20-14-17(5-8-21(20)27)22(28)15-24-18-10-12-26(13-11-18)19-6-2-16(3-7-19)4-9-23(29)30/h2-3,5-8,14,18,22,24-25,27-28H,4,9-13,15H2,1H3,(H,29,30)/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	39	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098653 (CHEMBL284612 | N-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-m...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(NC(=O)CC(O)=O)cc1 Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-15(2-7-20(19)28)21(29)14-24-16-8-10-27(11-9-16)18-5-3-17(4-6-18)25-22(30)13-23(31)32/h2-7,12,16,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,30)(H,31,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098670 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(COCC(O)=O)cc1 Show InChI InChI=1S/C23H31N3O7S/c1-34(31,32)25-20-12-17(4-7-21(20)27)22(28)13-24-18-8-10-26(11-9-18)19-5-2-16(3-6-19)14-33-15-23(29)30/h2-7,12,18,22,24-25,27-28H,8-11,13-15H2,1H3,(H,29,30)/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	66	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098660 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CCOC(=O)CNC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C25H34N4O7S/c1-3-36-24(32)16-27-25(33)17-4-7-20(8-5-17)29-12-10-19(11-13-29)26-15-23(31)18-6-9-22(30)21(14-18)28-37(2,34)35/h4-9,14,19,23,26,28,30-31H,3,10-13,15-16H2,1-2H3,(H,27,33)/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	15	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098657 (4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamin...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H27N3O6S/c1-31(29,30)23-18-12-15(4-7-19(18)25)20(26)13-22-16-8-10-24(11-9-16)17-5-2-14(3-6-17)21(27)28/h2-7,12,16,20,22-23,25-26H,8-11,13H2,1H3,(H,27,28)/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	220	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098664 (1-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C26H34N4O7S/c1-38(36,37)28-21-15-18(6-9-23(21)31)24(32)16-27-19-10-13-29(14-11-19)20-7-4-17(5-8-20)25(33)30-12-2-3-22(30)26(34)35/h4-9,15,19,22,24,27-28,31-32H,2-3,10-14,16H2,1H3,(H,34,35)/t22-,24-/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	98	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098656 (CHEMBL35500 | [Butyl-(4-{4-[2-hydroxy-2-(4-hydroxy...) Show SMILES CCCCN(c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C26H38N4O8S2/c1-3-4-13-30(40(37,38)18-26(33)34)22-8-6-21(7-9-22)29-14-11-20(12-15-29)27-17-25(32)19-5-10-24(31)23(16-19)28-39(2,35)36/h5-10,16,20,25,27-28,31-32H,3-4,11-15,17-18H2,1-2H3,(H,33,34)/t25-/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	2.00E+3	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50098662 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C30H36N4O7S/c1-42(40,41)33-25-18-22(9-12-27(25)35)28(36)19-31-23-13-15-34(16-14-23)24-10-7-21(8-11-24)29(37)32-26(30(38)39)17-20-5-3-2-4-6-20/h2-12,18,23,26,28,31,33,35-36H,13-17,19H2,1H3,(H,32,37)(H,38,39)/t26-,28-/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	4	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098658 (CHEMBL418600 | N-Butyl-N-(4-{4-[2-hydroxy-2-(4-hyd...) Show SMILES CCCCN(C(=O)CC(O)=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H38N4O7S/c1-3-4-13-31(26(34)17-27(35)36)22-8-6-21(7-9-22)30-14-11-20(12-15-30)28-18-25(33)19-5-10-24(32)23(16-19)29-39(2,37)38/h5-10,16,20,25,28-29,32-33H,3-4,11-15,17-18H2,1-2H3,(H,35,36)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070156 ((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098657 (4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamin...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H27N3O6S/c1-31(29,30)23-18-12-15(4-7-19(18)25)20(26)13-22-16-8-10-24(11-9-16)17-5-2-14(3-6-17)21(27)28/h2-7,12,16,20,22-23,25-26H,8-11,13H2,1H3,(H,27,28)/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	>5.00E+4	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair

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