Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with all data for entry = 50031780   

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))	BDBM50318987 (1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318983 (2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...) Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C34H33N3O5/c1-41-24-16-22-6-4-8-26-31(22)27(17-24)34(40)37(33(26)39)18-21-12-14-36(15-13-21)19-23(38)20-42-30-11-5-10-29-32(30)25-7-2-3-9-28(25)35-29/h2-11,16-17,21,23,35,38H,12-15,18-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318989 ((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 Show InChI InChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318986 (1-(9H-carbazol-4-yloxy)-3-(4-(4-methoxybenzyl)pipe...) Show SMILES COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 Show InChI InChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318988 ((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318990 ((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318985 (1-(9H-carbazol-4-yloxy)-3-(4-benzylpiperidin-1-yl)...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H30N2O2/c30-22(18-29-15-13-21(14-16-29)17-20-7-2-1-3-8-20)19-31-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28-25/h1-12,21-22,28,30H,13-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318987 (1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318979 (1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol | C...) Show SMILES CC(C)c1ccccc1OCC(O)CN1CCOCC1 Show InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318980 (1-(2-allylphenoxy)-3-(1-methylpiperidin-4-ylamino)...) Show SMILES CN1CCC(CC1)NCC(O)COc1ccccc1CC=C Show InChI InChI=1S/C18H28N2O2/c1-3-6-15-7-4-5-8-18(15)22-14-17(21)13-19-16-9-11-20(2)12-10-16/h3-5,7-8,16-17,19,21H,1,6,9-14H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318999 (2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C33H31N3O4/c37-23(20-40-29-13-5-12-28-31(29)24-8-1-2-11-27(24)34-28)19-35-16-14-21(15-17-35)18-36-32(38)25-9-3-6-22-7-4-10-26(30(22)25)33(36)39/h1-13,21,23,34,37H,14-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318986 (1-(9H-carbazol-4-yloxy)-3-(4-(4-methoxybenzyl)pipe...) Show SMILES COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 Show InChI InChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318999 (2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C33H31N3O4/c37-23(20-40-29-13-5-12-28-31(29)24-8-1-2-11-27(24)34-28)19-35-16-14-21(15-17-35)18-36-32(38)25-9-3-6-22-7-4-10-26(30(22)25)33(36)39/h1-13,21,23,34,37H,14-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318978 (1-(2-allylphenoxy)-3-morpholinopropan-2-ol | CHEMB...) Show SMILES OC(COc1ccccc1CC=C)CN1CCOCC1 Show InChI InChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318983 (2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...) Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C34H33N3O5/c1-41-24-16-22-6-4-8-26-31(22)27(17-24)34(40)37(33(26)39)18-21-12-14-36(15-13-21)19-23(38)20-42-30-11-5-10-29-32(30)25-7-2-3-9-28(25)35-29/h2-11,16-17,21,23,35,38H,12-15,18-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318977 (1-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...) Show SMILES CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 Show InChI InChI=1S/C23H34N2O4/c1-17(2)20-6-3-4-7-21(20)29-16-19(26)15-24-12-10-18(11-13-24)14-25-22(27)8-5-9-23(25)28/h3-4,6-7,17-19,26H,5,8-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318979 (1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol | C...) Show SMILES CC(C)c1ccccc1OCC(O)CN1CCOCC1 Show InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318989 ((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 Show InChI InChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50319004 (2-(1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)piper...) Show SMILES CC(C)c1ccccc1OCC(O)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C29H32N2O4/c1-19(2)23-9-3-4-12-26(23)35-18-22(32)17-30-15-13-21(14-16-30)31-28(33)24-10-5-7-20-8-6-11-25(27(20)24)29(31)34/h3-12,19,21-22,32H,13-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318985 (1-(9H-carbazol-4-yloxy)-3-(4-benzylpiperidin-1-yl)...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H30N2O2/c30-22(18-29-15-13-21(14-16-29)17-20-7-2-1-3-8-20)19-31-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28-25/h1-12,21-22,28,30H,13-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318988 ((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318975 (2-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...) Show SMILES CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 Show InChI InChI=1S/C26H32N2O4/c1-18(2)21-7-5-6-10-24(21)32-17-20(29)16-27-13-11-19(12-14-27)15-28-25(30)22-8-3-4-9-23(22)26(28)31/h3-10,18-20,29H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318981 (1-(2-isopropylphenoxy)-3-(1-methylpiperidin-4-ylam...) Show SMILES CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1 Show InChI InChI=1S/C18H30N2O2/c1-14(2)17-6-4-5-7-18(17)22-13-16(21)12-19-15-8-10-20(3)11-9-15/h4-7,14-16,19,21H,8-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318998 (2-((1-(3-(1H-indol-4-yloxy)-2-hydroxypropyl)piperi...) Show SMILES OC(COc1cccc2[nH]ccc12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C29H29N3O4/c33-21(18-36-26-9-3-8-25-22(26)10-13-30-25)17-31-14-11-19(12-15-31)16-32-28(34)23-6-1-4-20-5-2-7-24(27(20)23)29(32)35/h1-10,13,19,21,30,33H,11-12,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318990 ((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta-1 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318982 (2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1 Show InChI InChI=1S/C33H31N3O5/c37-22-15-21-5-3-7-25-30(21)26(16-22)33(40)36(32(25)39)17-20-11-13-35(14-12-20)18-23(38)19-41-29-10-4-9-28-31(29)24-6-1-2-8-27(24)34-28/h1-10,15-16,20,23,34,37-38H,11-14,17-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318973 (2-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...) Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4ccccc4C(C)C)CC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C31H36N2O5/c1-20(2)25-8-4-5-10-28(25)38-19-23(34)18-32-13-11-21(12-14-32)17-33-30(35)26-9-6-7-22-15-24(37-3)16-27(29(22)26)31(33)36/h4-10,15-16,20-21,23,34H,11-14,17-19H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50319003 (2-(1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidin...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C29H30N2O4/c1-2-7-20-8-3-4-13-26(20)35-19-23(32)18-30-16-14-22(15-17-30)31-28(33)24-11-5-9-21-10-6-12-25(27(21)24)29(31)34/h2-6,8-13,22-23,32H,1,7,14-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318974 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 Show InChI InChI=1S/C26H30N2O4/c1-2-7-20-8-3-6-11-24(20)32-18-21(29)17-27-14-12-19(13-15-27)16-28-25(30)22-9-4-5-10-23(22)26(28)31/h2-6,8-11,19,21,29H,1,7,12-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318984 (2-(1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pipe...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C32H29N3O4/c36-22(19-39-28-13-5-12-27-30(28)23-8-1-2-11-26(23)33-27)18-34-16-14-21(15-17-34)35-31(37)24-9-3-6-20-7-4-10-25(29(20)24)32(35)38/h1-13,21-22,33,36H,14-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50319002 (2-(2-(4-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pi...) Show SMILES CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C30H35N3O4/c1-21(2)24-9-3-4-12-27(24)37-20-23(34)19-32-15-13-31(14-16-32)17-18-33-29(35)25-10-5-7-22-8-6-11-26(28(22)25)30(33)36/h3-12,21,23,34H,13-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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))	BDBM50318987 (1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318984 (2-(1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pipe...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C32H29N3O4/c36-22(19-39-28-13-5-12-27-30(28)23-8-1-2-11-26(23)33-27)18-34-16-14-21(15-17-34)35-31(37)24-9-3-6-20-7-4-10-25(29(20)24)32(35)38/h1-13,21-22,33,36H,14-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318972 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4ccccc4CC=C)CC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C31H34N2O5/c1-3-7-22-8-4-5-11-28(22)38-20-24(34)19-32-14-12-21(13-15-32)18-33-30(35)26-10-6-9-23-16-25(37-2)17-27(29(23)26)31(33)36/h3-6,8-11,16-17,21,24,34H,1,7,12-15,18-20H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318992 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C30H32N2O4/c1-2-7-22-8-3-4-13-27(22)36-20-24(33)19-31-16-14-21(15-17-31)18-32-29(34)25-11-5-9-23-10-6-12-26(28(23)25)30(32)35/h2-6,8-13,21,24,33H,1,7,14-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318976 (1-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)CCCC2=O)CC1 Show InChI InChI=1S/C23H32N2O4/c1-2-6-19-7-3-4-8-21(19)29-17-20(26)16-24-13-11-18(12-14-24)15-25-22(27)9-5-10-23(25)28/h2-4,7-8,18,20,26H,1,5-6,9-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318992 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C30H32N2O4/c1-2-7-22-8-3-4-13-27(22)36-20-24(33)19-31-16-14-21(15-17-31)18-32-29(34)25-11-5-9-23-10-6-12-26(28(23)25)30(32)35/h2-6,8-13,21,24,33H,1,7,14-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318981 (1-(2-isopropylphenoxy)-3-(1-methylpiperidin-4-ylam...) Show SMILES CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1 Show InChI InChI=1S/C18H30N2O2/c1-14(2)17-6-4-5-7-18(17)22-13-16(21)12-19-15-8-10-20(3)11-9-15/h4-7,14-16,19,21H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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))	BDBM50318984 (2-(1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pipe...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C32H29N3O4/c36-22(19-39-28-13-5-12-27-30(28)23-8-1-2-11-26(23)33-27)18-34-16-14-21(15-17-34)35-31(37)24-9-3-6-20-7-4-10-25(29(20)24)32(35)38/h1-13,21-22,33,36H,14-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50319000 (2-(2-(4-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)...) Show SMILES CC(C)c1ccc(C)cc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C31H37N3O4/c1-21(2)25-11-10-22(3)18-28(25)38-20-24(35)19-33-14-12-32(13-15-33)16-17-34-30(36)26-8-4-6-23-7-5-9-27(29(23)26)31(34)37/h4-11,18,21,24,35H,12-17,19-20H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318978 (1-(2-allylphenoxy)-3-morpholinopropan-2-ol | CHEMB...) Show SMILES OC(COc1ccccc1CC=C)CN1CCOCC1 Show InChI InChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318998 (2-((1-(3-(1H-indol-4-yloxy)-2-hydroxypropyl)piperi...) Show SMILES OC(COc1cccc2[nH]ccc12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C29H29N3O4/c33-21(18-36-26-9-3-8-25-22(26)10-13-30-25)17-31-14-11-19(12-15-31)16-32-28(34)23-6-1-4-20-5-2-7-24(27(20)23)29(32)35/h1-10,13,19,21,30,33H,11-12,14-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318971 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1 Show InChI InChI=1S/C30H32N2O5/c1-2-6-21-7-3-4-10-27(21)37-19-24(34)18-31-13-11-20(12-14-31)17-32-29(35)25-9-5-8-22-15-23(33)16-26(28(22)25)30(32)36/h2-5,7-10,15-16,20,24,33-34H,1,6,11-14,17-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-2 adrenergic receptor (Homo sapiens (Human))	BDBM78700 (2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...) Show SMILES OC(COc1ccccc1CC=C)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C30H33N3O4/c1-2-7-22-8-3-4-13-27(22)37-21-24(34)20-32-16-14-31(15-17-32)18-19-33-29(35)25-11-5-9-23-10-6-12-26(28(23)25)30(33)36/h2-6,8-13,24,34H,1,7,14-21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318971 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1 Show InChI InChI=1S/C30H32N2O5/c1-2-6-21-7-3-4-10-27(21)37-19-24(34)18-31-13-11-20(12-14-31)17-32-29(35)25-9-5-8-22-15-23(33)16-26(28(22)25)30(32)36/h2-5,7-10,15-16,20,24,33-34H,1,6,11-14,17-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318974 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 Show InChI InChI=1S/C26H30N2O4/c1-2-7-20-8-3-6-11-24(20)32-18-21(29)17-27-14-12-19(13-15-27)16-28-25(30)22-9-4-5-10-23(22)26(28)31/h2-6,8-11,19,21,29H,1,7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318973 (2-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...) Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4ccccc4C(C)C)CC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C31H36N2O5/c1-20(2)25-8-4-5-10-28(25)38-19-23(34)18-32-13-11-21(12-14-32)17-33-30(35)26-9-6-7-22-15-24(37-3)16-27(29(22)26)31(33)36/h4-10,15-16,20-21,23,34H,11-14,17-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 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))	BDBM50318999 (2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C33H31N3O4/c37-23(20-40-29-13-5-12-28-31(29)24-8-1-2-11-27(24)34-28)19-35-16-14-21(15-17-35)18-36-32(38)25-9-3-6-22-7-4-10-26(30(22)25)33(36)39/h1-13,21,23,34,37H,14-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	225	n/a	n/a	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))	BDBM50318988 ((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...) Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	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

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