Compile Data Set for Download or QSAR

Found 57 hits of ic50 data for polymerid = 2890,50006501   

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50091786 (4-[4-(3,4-Difluoro-phenyl)-thiazol-2-yl]-N-{4-[2-(...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(F)c(F)c2)cc1)c1cccnc1 Show InChI InChI=1S/C30H26F2N4O3S2/c31-26-12-7-22(16-27(26)32)28-19-40-30(35-28)21-5-10-25(11-6-21)41(38,39)36-24-8-3-20(4-9-24)13-15-34-18-29(37)23-2-1-14-33-17-23/h1-12,14,16-17,19,29,34,36-37H,13,15,18H2/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional efficacy as increased cAMP in chinese hamster ovary (CHO) cells expressing human beta-3 receptor				J Med Chem 43: 3832-6 (2000) BindingDB Entry DOI: 10.7270/Q2057F5M
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50092646 (CHEMBL331744 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-e...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C31H27F3N4O4S2/c32-31(33,34)42-26-11-5-22(6-12-26)28-20-43-30(37-28)23-7-13-27(14-8-23)44(40,41)38-25-9-3-21(4-10-25)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity was evaluated on chinese hamster ovary (CHO) cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-...				J Med Chem 43: 3832-6 (2000) BindingDB Entry DOI: 10.7270/Q2057F5M
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50092645 ((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1 Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/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	46	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional efficacy as increased cAMP in chinese hamster ovary (CHO) cells expressing human beta-3 receptor				J Med Chem 43: 3832-6 (2000) BindingDB Entry DOI: 10.7270/Q2057F5M
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50076960 (4-[4-(3-Cyclopentyl-propyl)-5-oxo-4,5-dihydro-tetr...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2nnn(CCCC3CCCC3)c2=O)cc1)c1cccnc1 Show InChI InChI=1S/C30H37N7O4S/c38-29(25-8-3-18-31-21-25)22-32-19-17-24-9-11-26(12-10-24)33-42(40,41)28-15-13-27(14-16-28)37-30(39)36(34-35-37)20-4-7-23-5-1-2-6-23/h3,8-16,18,21,23,29,32-33,38H,1-2,4-7,17,19-20,22H2/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cloned human Beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol expressed in CHO cells by receptor bi...				Bioorg Med Chem Lett 9: 1251-4 (1999) BindingDB Entry DOI: 10.7270/Q2RB73RN
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328307 (CHEMBL1258825 | N-(3-(2-hydroxy-3-(1-(5-phenylthie...) Show SMILES CC(=O)Nc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1 Show InChI InChI=1S/C28H31N5O3S/c1-19(34)32-22-8-5-9-24(14-22)36-16-23(35)15-29-21-10-12-33(13-11-21)27-26-25(20-6-3-2-4-7-20)17-37-28(26)31-18-30-27/h2-9,14,17-18,21,23,29,35H,10-13,15-16H2,1H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as inhibition of isoproterenol-induced cyclic AMP ...				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328327 (1-(4-(hydroxymethyl)phenoxy)-3-(1-(5-phenylthieno[...) Show SMILES OCc1ccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)cc1 Show InChI InChI=1S/C27H30N4O3S/c32-15-19-6-8-23(9-7-19)34-16-22(33)14-28-21-10-12-31(13-11-21)26-25-24(20-4-2-1-3-5-20)17-35-27(25)30-18-29-26/h1-9,17-18,21-22,28,32-33H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as inhibition of isoproterenol-induced cyclic AMP ...				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328306 (3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...) Show SMILES CNC(=O)c1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1 Show InChI InChI=1S/C28H31N5O3S/c1-29-27(35)20-8-5-9-23(14-20)36-16-22(34)15-30-21-10-12-33(13-11-21)26-25-24(19-6-3-2-4-7-19)17-37-28(25)32-18-31-26/h2-9,14,17-18,21-22,30,34H,10-13,15-16H2,1H3,(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	402	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as inhibition of isoproterenol-induced cyclic AMP ...				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50275222 (1-(1-Benzyl-1,2,3,4-tetrahydroquinolin-6-yloxy)-3-...) Show SMILES COc1ccc(CNCC(O)COc2ccc3N(Cc4ccccc4)CCCc3c2)cc1OC Show InChI InChI=1S/C28H34N2O4/c1-32-27-13-10-22(15-28(27)33-2)17-29-18-24(31)20-34-25-11-12-26-23(16-25)9-6-14-30(26)19-21-7-4-3-5-8-21/h3-5,7-8,10-13,15-16,24,29,31H,6,9,14,17-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodocynopindolol from human adrenergic beta3 receptor				Bioorg Med Chem 17: 830-47 (2009) Article DOI: 10.1016/j.bmc.2008.11.030 BindingDB Entry DOI: 10.7270/Q2RR1Z3B
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50274875 (1-(1-Benzyl-1,2,3,4-tetrahydroquinolin-6-yloxy)-3-...) Show SMILES CC(C)NCC(O)COc1ccc2N(Cc3ccccc3)CCCc2c1 Show InChI InChI=1S/C22H30N2O2/c1-17(2)23-14-20(25)16-26-21-10-11-22-19(13-21)9-6-12-24(22)15-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,17,20,23,25H,6,9,12,14-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodocynopindolol from human adrenergic beta3 receptor				Bioorg Med Chem 17: 830-47 (2009) Article DOI: 10.1016/j.bmc.2008.11.030 BindingDB Entry DOI: 10.7270/Q2RR1Z3B
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	871	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Alpha-3A adrenergic receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50421590 (CHEMBL331188) Show SMILES CN(C)CC1CC2N(O1)c1ccccc1Cc1ncccc21 Show InChI InChI=1S/C18H21N3O/c1-20(2)12-14-11-18-15-7-5-9-19-16(15)10-13-6-3-4-8-17(13)21(18)22-14/h3-9,14,18H,10-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Alpha-3A adrenergic receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50421589 (CHEMBL331077) Show SMILES CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21 Show InChI InChI=1S/C18H21N3O/c1-20(2)12-15-10-17-16-6-4-3-5-13(16)9-14-7-8-19-11-18(14)21(17)22-15/h3-8,11,15,17H,9-10,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Alpha-3A adrenergic receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50275223 (1-(1-Benzyl-1,2,3,4-tetrahydroquinolin-6-yloxy)-3-...) Show SMILES COc1ccc(CCNCC(O)COc2ccc3N(Cc4ccccc4)CCCc3c2)cc1 Show InChI InChI=1S/C28H34N2O3/c1-32-26-11-9-22(10-12-26)15-16-29-19-25(31)21-33-27-13-14-28-24(18-27)8-5-17-30(28)20-23-6-3-2-4-7-23/h2-4,6-7,9-14,18,25,29,31H,5,8,15-17,19-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodocynopindolol from human adrenergic beta3 receptor				Bioorg Med Chem 17: 830-47 (2009) Article DOI: 10.1016/j.bmc.2008.11.030 BindingDB Entry DOI: 10.7270/Q2RR1Z3B
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50318991 (2-((1-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)pr...) Show SMILES CC(C)c1ccc(C)cc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C31H36N2O4/c1-20(2)25-11-10-21(3)16-28(25)37-19-24(34)18-32-14-12-22(13-15-32)17-33-30(35)26-8-4-6-23-7-5-9-27(29(23)26)31(33)36/h4-11,16,20,22,24,34H,12-15,17-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay				Bioorg Med Chem Lett 20: 3399-404 (2010) Article DOI: 10.1016/j.bmcl.2010.04.009 BindingDB Entry DOI: 10.7270/Q2D21XSW
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50275224 (1-(1-Benzyl-1,2,3,4-tetrahydroquinolin-6-yloxy)-3-...) Show SMILES OC(COc1ccc2N(Cc3ccccc3)CCCc2c1)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H34FN3O2/c30-25-8-10-26(11-9-25)32-17-15-31(16-18-32)21-27(34)22-35-28-12-13-29-24(19-28)7-4-14-33(29)20-23-5-2-1-3-6-23/h1-3,5-6,8-13,19,27,34H,4,7,14-18,20-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodocynopindolol from human adrenergic beta3 receptor				Bioorg Med Chem 17: 830-47 (2009) Article DOI: 10.1016/j.bmc.2008.11.030 BindingDB Entry DOI: 10.7270/Q2RR1Z3B
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50146360 (CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...) Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Alpha-3A adrenergic receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50244809 ((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r| Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/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	4.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from adrenergic beta3 receptor				Bioorg Med Chem Lett 18: 4798-801 (2008) Article DOI: 10.1016/j.bmcl.2008.07.103 BindingDB Entry DOI: 10.7270/Q2BC3ZC5
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50311095 (CHEMBL1079045 | N-(4-(2-amino-2-methylpropyl)pheny...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CC(C)(C)N)cc1 Show InChI InChI=1S/C23H34N4O3S/c1-4-5-6-7-16-25-22(28)26-19-12-14-21(15-13-19)31(29,30)27-20-10-8-18(9-11-20)17-23(2,3)24/h8-15,27H,4-7,16-17,24H2,1-3H3,(H2,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human adrenergic beta3 receptor				Bioorg Med Chem Lett 19: 6237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.08.076 BindingDB Entry DOI: 10.7270/Q2V124X7
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484071 ((S)-1-((R)-8-(1H- pyrrolo[3,2-b]pyridin-6- ylsulfo...) Show SMILES O[C@@H](CN[C@H]1COC2(C1)CCN(CC2)S(=O)(=O)c1ccc2cc[nH]c2c1)COc1cccc(c1)S(=O)(=O)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328312 (1-(4-ethylphenoxy)-3-(1-(5-phenylthieno[2,3-d]pyri...) Show SMILES CCc1ccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)cc1 Show InChI InChI=1S/C28H32N4O2S/c1-2-20-8-10-24(11-9-20)34-17-23(33)16-29-22-12-14-32(15-13-22)27-26-25(21-6-4-3-5-7-21)18-35-28(26)31-19-30-27/h3-11,18-19,22-23,29,33H,2,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as inhibition of isoproterenol-induced cyclic AMP ...				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50304075 (3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...) Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1 Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ Curated by ChEMBL					Assay Description Inhibition of beta3 adrenergic receptor				Bioorg Med Chem 17: 6442-50 (2009) Article DOI: 10.1016/j.bmc.2009.07.007 BindingDB Entry DOI: 10.7270/Q2QZ2B14
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484061 ((2S)-1-(3-(1- fluoroethylsulfonyl) phenoxy)-3-((R)...) Show SMILES CC(F)S(=O)(=O)c1cccc(OC[C@@H](O)CN[C@H]2COC3(C2)CCN(CC3)S(=O)(=O)c2ccc3ncccc3c2)c1 |r| Show InChI InChI=1S/C28H34FN3O7S2/c1-20(29)40(34,35)25-6-2-5-24(15-25)38-19-23(33)17-31-22-16-28(39-18-22)9-12-32(13-10-28)41(36,37)26-7-8-27-21(14-26)4-3-11-30-27/h2-8,11,14-15,20,22-23,31,33H,9-10,12-13,16-19H2,1H3/t20?,22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484073 ((S)-1-((R)-8-(1H- pyrrolo[3,2-b]pyridin-6- ylsulfo...) Show SMILES CS(=O)(=O)c1cccc(OC[C@@H](O)CN[C@H]2COC3(C2)CCN(CC3)S(=O)(=O)c2cnc3cc[nH]c3c2)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484058 ((S)-1-((S)-8-(4'- (aminomethyl)-5- methoxybiphenyl...) Show SMILES COc1cc(cc(c1)S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2CC2)CC1)-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C34H43N3O8S2/c1-43-30-15-26(25-7-5-24(20-35)6-8-25)16-33(18-30)47(41,42)37-13-11-34(12-14-37)19-27(22-45-34)36-21-28(38)23-44-29-3-2-4-32(17-29)46(39,40)31-9-10-31/h2-8,15-18,27-28,31,36,38H,9-14,19-23,35H2,1H3/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484059 ((S)-1-((S)-8-(4'- (aminomethyl)-4- ethoxybiphenyl-...) Show SMILES CCOc1ccc(cc1S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)COC)CC1)-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C34H45N3O9S2/c1-3-44-32-12-11-27(26-9-7-25(20-35)8-10-26)17-33(32)48(41,42)37-15-13-34(14-16-37)19-28(22-46-34)36-21-29(38)23-45-30-5-4-6-31(18-30)47(39,40)24-43-2/h4-12,17-18,28-29,36,38H,3,13-16,19-24,35H2,1-2H3/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484060 ((S)-1-((S)-8-(4'- (aminomethyl)-4- ethoxybiphenyl-...) Show SMILES CCOc1ccc(cc1S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C(C)C)CC1)-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C35H47N3O8S2/c1-4-44-33-13-12-28(27-10-8-26(21-36)9-11-27)18-34(33)48(42,43)38-16-14-35(15-17-38)20-29(23-46-35)37-22-30(39)24-45-31-6-5-7-32(19-31)47(40,41)25(2)3/h5-13,18-19,25,29-30,37,39H,4,14-17,20-24,36H2,1-3H3/t29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484076 (3-((R)-3-((S)-3-(3- (cyclopropylsulfonyl) phenoxy)...) Show SMILES O[C@@H](CN[C@H]1COC2(C1)CCN(CC2)S(=O)(=O)c1c[nH]c2ccccc2c1=O)COc1cccc(c1)S(=O)(=O)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484050 ((S)-1-((S)-8-(4'- (aminomethyl)-4- ethoxybiphenyl-...) Show SMILES CCOc1ccc(cc1S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2(CO)CC2)CC1)-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C36H47N3O9S2/c1-2-46-33-11-10-28(27-8-6-26(21-37)7-9-27)18-34(33)50(44,45)39-16-14-35(15-17-39)20-29(23-48-35)38-22-30(41)24-47-31-4-3-5-32(19-31)49(42,43)36(25-40)12-13-36/h3-11,18-19,29-30,38,40-41H,2,12-17,20-25,37H2,1H3/t29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484051 ((S)-1-((R)-8-(4'- (aminomethyl)-4- fluorobiphenyl-...) Show SMILES NCc1ccc(cc1)-c1ccc(F)c(c1)S(=O)(=O)N1CCC2(C[C@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2(CO)CC2)CC1 |r| Show InChI InChI=1S/C34H42FN3O8S2/c35-31-9-8-26(25-6-4-24(19-36)5-7-25)16-32(31)48(43,44)38-14-12-33(13-15-38)18-27(21-46-33)37-20-28(40)22-45-29-2-1-3-30(17-29)47(41,42)34(23-39)10-11-34/h1-9,16-17,27-28,37,39-40H,10-15,18-23,36H2/t27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484048 ((S)-1-(3-(cyclopropyl- sulfonyl)phenoxy)- 3-((R)-8...) Show SMILES CN1CCOc2ncc(cc12)S(=O)(=O)N1CCC2(C[C@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2CC2)CC1 |r| Show InChI InChI=1S/C28H38N4O8S2/c1-31-11-12-38-27-26(31)14-25(17-30-27)42(36,37)32-9-7-28(8-10-32)15-20(18-40-28)29-16-21(33)19-39-22-3-2-4-24(13-22)41(34,35)23-5-6-23/h2-4,13-14,17,20-21,23,29,33H,5-12,15-16,18-19H2,1H3/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484073 ((S)-1-((R)-8-(1H- pyrrolo[3,2-b]pyridin-6- ylsulfo...) Show SMILES CS(=O)(=O)c1cccc(OC[C@@H](O)CN[C@H]2COC3(C2)CCN(CC3)S(=O)(=O)c2cnc3cc[nH]c3c2)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484057 ((S)-1-((S)-8-(4'- (aminomethyl)-6- methoxybiphenyl...) Show SMILES COc1ccc(cc1-c1ccc(CN)cc1)S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2CC2)CC1 |r| Show InChI InChI=1S/C34H43N3O8S2/c1-43-33-12-11-31(18-32(33)25-7-5-24(20-35)6-8-25)47(41,42)37-15-13-34(14-16-37)19-26(22-45-34)36-21-27(38)23-44-28-3-2-4-30(17-28)46(39,40)29-9-10-29/h2-8,11-12,17-18,26-27,29,36,38H,9-10,13-16,19-23,35H2,1H3/t26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484066 ((S)-1-((S)-8-(4'- ((butylamino)methyl) biphenyl-3-...) Show SMILES CCCCNCc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2(CO)CC2)CC1 |r| Show InChI InChI=1S/C38H51N3O8S2/c1-2-3-18-39-24-29-10-12-30(13-11-29)31-6-4-9-36(21-31)51(46,47)41-19-16-37(17-20-41)23-32(26-49-37)40-25-33(43)27-48-34-7-5-8-35(22-34)50(44,45)38(28-42)14-15-38/h4-13,21-22,32-33,39-40,42-43H,2-3,14-20,23-28H2,1H3/t32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484047 ((S)-1-(3-(1- (hydroxymethyl) cyclopropylsulfonyl) ...) Show SMILES OCC1(CC1)S(=O)(=O)c1cccc(OC[C@@H](O)CN[C@H]2COC3(C2)CCN(CC3)S(=O)(=O)c2cnc3ccccc3c2)c1 |r| Show InChI InChI=1S/C30H37N3O8S2/c34-21-30(8-9-30)42(36,37)26-6-3-5-25(15-26)40-20-24(35)17-31-23-16-29(41-19-23)10-12-33(13-11-29)43(38,39)27-14-22-4-1-2-7-28(22)32-18-27/h1-7,14-15,18,23-24,31,34-35H,8-13,16-17,19-21H2/t23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484070 ((S)-1-(3-(1- (hydroxymethyl) cyclopropylsulfonyl) ...) Show SMILES OCC1(CC1)S(=O)(=O)c1cccc(OC[C@@H](O)CN[C@H]2COC3(C2)CCN(CC3)S(=O)(=O)c2ccc3ccccc3c2)c1 |r| Show InChI InChI=1S/C31H38N2O8S2/c34-22-31(10-11-31)42(36,37)28-7-3-6-27(17-28)40-21-26(35)19-32-25-18-30(41-20-25)12-14-33(15-13-30)43(38,39)29-9-8-23-4-1-2-5-24(23)16-29/h1-9,16-17,25-26,32,34-35H,10-15,18-22H2/t25-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484063 ((S)-1-(3-(1- (hydroxymelhyl) cyclopropylsulfonyl) ...) Show SMILES CCC(C)(C)NCc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2(CO)CC2)CC1 |r| Show InChI InChI=1S/C39H53N3O8S2/c1-4-37(2,3)41-24-29-11-13-30(14-12-29)31-7-5-10-36(21-31)52(47,48)42-19-17-38(18-20-42)23-32(26-50-38)40-25-33(44)27-49-34-8-6-9-35(22-34)51(45,46)39(28-43)15-16-39/h5-14,21-22,32-33,40-41,43-44H,4,15-20,23-28H2,1-3H3/t32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484049 ((S)-1-((R)-8-(4'- (aminomethyl)-4- ethoxybiphenyl-...) Show SMILES CCOc1ccc(cc1S(=O)(=O)N1CCC2(C[C@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C(F)(F)CO)CC1)-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C34H43F2N3O9S2/c1-2-46-31-11-10-26(25-8-6-24(19-37)7-9-25)16-32(31)50(44,45)39-14-12-33(13-15-39)18-27(21-48-33)38-20-28(41)22-47-29-4-3-5-30(17-29)49(42,43)34(35,36)23-40/h3-11,16-17,27-28,38,40-41H,2,12-15,18-23,37H2,1H3/t27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484075 (1-ethyl-8-fluoro-3-((R)- 3-((S)-2-hydroxy-3-(3- (m...) Show SMILES CCn1cc(c(=O)c2cccc(F)c12)S(=O)(=O)N1CCC2(C[C@H](CO2)NC[C@H](O)COc2cccc(c2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C29H36FN3O8S2/c1-3-32-17-26(28(35)24-8-5-9-25(30)27(24)32)43(38,39)33-12-10-29(11-13-33)15-20(18-41-29)31-16-21(34)19-40-22-6-4-7-23(14-22)42(2,36)37/h4-9,14,17,20-21,31,34H,3,10-13,15-16,18-19H2,1-2H3/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484053 ((S)-1-((S)-8-(4'-(2- aminoethyl)biphenyl-3- ylsulf...) Show SMILES NCCc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C(F)(F)CO)CC1 |r| Show InChI InChI=1S/C33H41F2N3O8S2/c34-33(35,23-39)47(41,42)30-5-2-4-29(18-30)45-22-28(40)20-37-27-19-32(46-21-27)12-15-38(16-13-32)48(43,44)31-6-1-3-26(17-31)25-9-7-24(8-10-25)11-14-36/h1-10,17-18,27-28,37,39-40H,11-16,19-23,36H2/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484052 ((S)-1-((R)-8-(4'-(1- aminocyclopropyl)-6- methoxyb...) Show SMILES COc1ccc(cc1-c1ccc(cc1)C1(N)CC1)S(=O)(=O)N1CCC2(C[C@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2(CO)CC2)CC1 |r| Show InChI InChI=1S/C37H47N3O9S2/c1-47-34-10-9-32(20-33(34)26-5-7-27(8-6-26)37(38)13-14-37)51(45,46)40-17-15-35(16-18-40)21-28(23-49-35)39-22-29(42)24-48-30-3-2-4-31(19-30)50(43,44)36(25-41)11-12-36/h2-10,19-20,28-29,39,41-42H,11-18,21-25,38H2,1H3/t28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484045 ((S)-1-(3-(2- hydroxyethylsulfonyl) phenoxy)-3-(R)-...) Show SMILES OCCS(=O)(=O)c1cccc(OC[C@@H](O)CN[C@H]2COC3(C2)CCN(CC3)S(=O)(=O)c2cnc3ccccc3c2)c1 |r| Show InChI InChI=1S/C28H35N3O8S2/c32-12-13-40(34,35)25-6-3-5-24(15-25)38-20-23(33)17-29-22-16-28(39-19-22)8-10-31(11-9-28)41(36,37)26-14-21-4-1-2-7-27(21)30-18-26/h1-7,14-15,18,22-23,29,32-33H,8-13,16-17,19-20H2/t22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484054 ((S)-1-((S)-8-(4'-(2- aminoethyl)biphenyl-3- ylsulf...) Show SMILES NCCc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2(CO)CC2)CC1 |r| Show InChI InChI=1S/C35H45N3O8S2/c36-16-11-26-7-9-27(10-8-26)28-3-1-6-33(19-28)48(43,44)38-17-14-34(15-18-38)21-29(23-46-34)37-22-30(40)24-45-31-4-2-5-32(20-31)47(41,42)35(25-39)12-13-35/h1-10,19-20,29-30,37,39-40H,11-18,21-25,36H2/t29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484069 (3-((R)-3-((S)-3-(3- (cyclopropylsulfonyl) phenoxy)...) Show SMILES CCn1cc(c(=O)c2ccccc12)S(=O)(=O)N1CCC2(C[C@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2CC2)CC1 |r| Show InChI InChI=1S/C31H39N3O8S2/c1-2-33-19-29(30(36)27-8-3-4-9-28(27)33)44(39,40)34-14-12-31(13-15-34)17-22(20-42-31)32-18-23(35)21-41-24-6-5-7-26(16-24)43(37,38)25-10-11-25/h3-9,16,19,22-23,25,32,35H,2,10-15,17-18,20-21H2,1H3/t22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484065 ((S)-l-(3-(l- (hydroxymethyl) cyclopropylsulfonyl) ...) Show SMILES CCCNCc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2(CO)CC2)CC1 |r| Show InChI InChI=1S/C37H49N3O8S2/c1-2-17-38-23-28-9-11-29(12-10-28)30-5-3-8-35(20-30)50(45,46)40-18-15-36(16-19-40)22-31(25-48-36)39-24-32(42)26-47-33-6-4-7-34(21-33)49(43,44)37(27-41)13-14-37/h3-12,20-21,31-32,38-39,41-42H,2,13-19,22-27H2,1H3/t31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484055 ((S)-1-((R)-8-(4'-(1- aminocyclopropyl)-6- fluorobi...) Show SMILES NC1(CC1)c1ccc(cc1)-c1cc(ccc1F)S(=O)(=O)N1CCC2(C[C@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2(CO)CC2)CC1 |r| Show InChI InChI=1S/C36H44FN3O8S2/c37-33-9-8-31(19-32(33)25-4-6-26(7-5-25)36(38)12-13-36)50(45,46)40-16-14-34(15-17-40)20-27(22-48-34)39-21-28(42)23-47-29-2-1-3-30(18-29)49(43,44)35(24-41)10-11-35/h1-9,18-19,27-28,39,41-42H,10-17,20-24,38H2/t27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484077 (3-((R)-3-((S)-3-(3- (cyclopropylsulfonyl) phenoxy)...) Show SMILES Cc1cccc2c(O)c(cnc12)S(=O)(=O)N1CCC2(C[C@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2CC2)CC1 |r| Show InChI InChI=1S/C30H37N3O8S2/c1-20-4-2-7-26-28(20)32-17-27(29(26)35)43(38,39)33-12-10-30(11-13-33)15-21(18-41-30)31-16-22(34)19-40-23-5-3-6-25(14-23)42(36,37)24-8-9-24/h2-7,14,17,21-22,24,31,34H,8-13,15-16,18-19H2,1H3,(H,32,35)/t21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484078 (3-((R)-3-((S)-3-(3- (cyclopropylsulfonyl) phenoxy)...) Show SMILES O[C@@H](CN[C@H]1COC2(C1)CCN(CC2)S(=O)(=O)c1cnc2cc(F)ccc2c1O)COc1cccc(c1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C29H34FN3O8S2/c30-19-4-7-25-26(12-19)32-16-27(28(25)35)43(38,39)33-10-8-29(9-11-33)14-20(17-41-29)31-15-21(34)18-40-22-2-1-3-24(13-22)42(36,37)23-5-6-23/h1-4,7,12-13,16,20-21,23,31,34H,5-6,8-11,14-15,17-18H2,(H,32,35)/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant adrenergic beta3 receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484079 (1-ethyl-8-fluoro-3-((R)- 3-((S)-2-hydroxy-3-(3- (i...) Show SMILES CCn1cc(c(=O)c2cccc(F)c12)S(=O)(=O)N1CCC2(C[C@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C(C)C)CC1 |r| Show InChI InChI=1S/C31H40FN3O8S2/c1-4-34-18-28(30(37)26-9-6-10-27(32)29(26)34)45(40,41)35-13-11-31(12-14-35)16-22(19-43-31)33-17-23(36)20-42-24-7-5-8-25(15-24)44(38,39)21(2)3/h5-10,15,18,21-23,33,36H,4,11-14,16-17,19-20H2,1-3H3/t22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM484062 ((S)-1-((S)-8-(4'-((tert- butylamino(methyl) biphen...) Show SMILES CC(C)(C)NCc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCC2(C[C@@H](CO2)NC[C@H](O)COc2cccc(c2)S(=O)(=O)C2(CO)CC2)CC1 |r| Show InChI InChI=1S/C38H51N3O8S2/c1-36(2,3)40-23-28-10-12-29(13-11-28)30-6-4-9-35(20-30)51(46,47)41-18-16-37(17-19-41)22-31(25-49-37)39-24-32(43)26-48-33-7-5-8-34(21-33)50(44,45)38(27-42)14-15-38/h4-13,20-21,31-32,39-40,42-43H,14-19,22-27H2,1-3H3/t31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in ass...				US Patent US10927123 (2021) BindingDB Entry DOI: 10.7270/Q2D221QM
					More data for this Ligand-Target Pair

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