Compile Data Set for Download or QSAR

Found 148 hits of kd data for polymerid = 2888,50007095,5366   

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-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50422862 (125I-CYP | CHEMBL210309) Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	0.0631	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Antagonist activity at rat beta-1 adrenergic receptor S190A mutant expressed in CHO cells				J Med Chem 49: 3467-77 (2006) Article DOI: 10.1021/jm050624l BindingDB Entry DOI: 10.7270/Q2NC62H4
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50422862 (125I-CYP | CHEMBL210309) Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	0.0631	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Antagonist activity at rat beta-1 adrenergic receptor W134A mutant expressed in CHO cells				J Med Chem 49: 3467-77 (2006) Article DOI: 10.1021/jm050624l BindingDB Entry DOI: 10.7270/Q2NC62H4
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50422862 (125I-CYP | CHEMBL210309) Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	0.0631	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Antagonist activity at rat wild type beta-1 adrenergic receptor expressed in CHO cells				J Med Chem 49: 3467-77 (2006) Article DOI: 10.1021/jm050624l BindingDB Entry DOI: 10.7270/Q2NC62H4
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50601551 (CHEMBL5207281) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00692 BindingDB Entry DOI: 10.7270/Q2MP57CT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50601574 (CHEMBL5201074) Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00692 BindingDB Entry DOI: 10.7270/Q2MP57CT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50601567 (CHEMBL5206565) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00692 BindingDB Entry DOI: 10.7270/Q2MP57CT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50568740 (CHEMBL4860528) Show SMILES CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00692 BindingDB Entry DOI: 10.7270/Q2MP57CT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50422862 (125I-CYP | CHEMBL210309) Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	0.0794	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Antagonist activity at rat beta-1 adrenergic receptor Y356F mutant expressed in CHO cells				J Med Chem 49: 3467-77 (2006) Article DOI: 10.1021/jm050624l BindingDB Entry DOI: 10.7270/Q2NC62H4
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50422862 (125I-CYP | CHEMBL210309) Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12 Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Antagonist activity at rat beta-1 adrenergic receptor Y356A mutant expressed in CHO cells				J Med Chem 49: 3467-77 (2006) Article DOI: 10.1021/jm050624l BindingDB Entry DOI: 10.7270/Q2NC62H4
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.331	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25748 (3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...) Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.331	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50241366 ((S)-1-(isopropylamino)-3-(m-tolyloxy)propan-2-ol |...) Show SMILES CC(C)NC[C@H](O)COc1cccc(C)c1 |r| Show InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/t12-/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	n/a	0.380	n/a	n/a	n/a	n/a	n/a
Centre for Addiction and Mental Health Curated by ChEMBL					Assay Description Binding affinity to beta-1 adrenergic receptor				J Med Chem 51: 5093-100 (2008) Article DOI: 10.1021/jm800227h BindingDB Entry DOI: 10.7270/Q2NZ87GC
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25747 (4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihyd...) Show SMILES CC(C)(C)NCC(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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.620	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232757 (CHEMBL4092412) Show SMILES CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.977	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432704 (CHEMBL2348218) Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H34FN3O6/c29-22-3-1-21(2-4-22)13-16-36-17-18-37-26-9-11-27(12-10-26)38-20-25(34)19-30-14-15-31-28(35)32-23-5-7-24(33)8-6-23/h1-12,25,30,33-34H,13-20H2,(H2,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25748 (3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...) Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.24	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432701 (CHEMBL2348201) Show SMILES OC(CNCCNC(=O)Nc1cccc(Cl)c1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H34ClN3O5/c26-19-4-3-5-20(16-19)29-25(31)28-13-12-27-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,27,30H,1-2,6-7,12-15,17-18H2,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.60	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432707 (LK-204-545 | LK-204545) Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25759 (CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...) Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	1.76	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25748 (3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...) Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50019443 (1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...) Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12 Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50019443 (1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...) Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12 Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP 12177 from human beta-1 adrenergic receptor expressed in CHOK1 cells				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432705 (CHEMBL2348219) Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H35N3O6/c29-20-7-5-19(6-8-20)28-25(31)27-14-13-26-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,26,29-30H,1-4,13-18H2,(H2,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25765 (Bupranolol | KL 255 | Ophtorenin | tert-butyl[3-(2...) Show SMILES Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1 Show InChI InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	3.10	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432704 (CHEMBL2348218) Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H34FN3O6/c29-22-3-1-21(2-4-22)13-16-36-17-18-37-26-9-11-27(12-10-26)38-20-25(34)19-30-14-15-31-28(35)32-23-5-7-24(33)8-6-23/h1-12,25,30,33-34H,13-20H2,(H2,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432702 (CHEMBL2348211) Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H35N3O5/c29-21(18-26-14-15-27-25(30)28-20-6-2-1-3-7-20)19-33-24-12-10-23(11-13-24)32-17-16-31-22-8-4-5-9-22/h1-3,6-7,10-13,21-22,26,29H,4-5,8-9,14-19H2,(H2,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50423827 (CHEMBL1830491) Show SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C48H54BF2N5O7S/c50-49(51)55-38(18-19-39(55)32-40-20-23-44(56(40)49)46-12-7-31-64-46)17-14-36-15-21-42(22-16-36)62-35-48(59)53-24-5-1-2-13-47(58)54-26-28-61-30-29-60-27-25-52-33-41(57)34-63-45-11-6-9-37-8-3-4-10-43(37)45/h3-4,6-12,14-23,31-32,41,52,57H,1-2,5,13,24-30,33-35H2,(H,53,59)(H,54,58)/b17-14+/t41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25764 (ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...) Show SMILES CC(C)NCC(O)COc1ccccc1CC=C Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25767 (Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...) Show SMILES CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1 Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	5.35	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP 12177 from human beta-1 adrenergic receptor expressed in CHOK1 cells				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432701 (CHEMBL2348201) Show SMILES OC(CNCCNC(=O)Nc1cccc(Cl)c1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H34ClN3O5/c26-19-4-3-5-20(16-19)29-25(31)28-13-12-27-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,27,30H,1-2,6-7,12-15,17-18H2,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25752 (Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...) Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.20	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027878 (CHEMBL2348198) Show SMILES OC(CNCCNC(=O)Nc1cccc(F)c1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H34FN3O5/c26-19-4-3-5-20(16-19)29-25(31)28-13-12-27-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,27,30H,1-2,6-7,12-15,17-18H2,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	6.90	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432705 (CHEMBL2348219) Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H35N3O6/c29-20-7-5-19(6-8-20)28-25(31)27-14-13-26-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,26,29-30H,1-4,13-18H2,(H2,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50423824 (CHEMBL1830618) Show SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C |r,c:37,45,t:35| Show InChI InChI=1S/C47H56BF2N5O7S/c1-2-9-37-10-5-6-11-44(37)62-34-41(56)33-51-25-27-59-29-30-60-28-26-53-46(57)13-4-3-7-24-52-47(58)35-61-42-21-15-36(16-22-42)14-17-38-18-19-39-32-40-20-23-43(45-12-8-31-63-45)55(40)48(49,50)54(38)39/h2,5-6,8,10-12,14-23,31-32,41,51,56H,1,3-4,7,9,13,24-30,33-35H2,(H,52,58)(H,53,57)/b17-14+/t41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50423829 (CHEMBL1830485) Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:31,39,t:29| Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+/t37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027885 (CHEMBL2348213) Show SMILES Cc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 Show InChI InChI=1S/C26H37N3O5/c1-20-5-4-6-21(17-20)29-26(31)28-14-13-27-18-22(30)19-34-25-11-9-24(10-12-25)33-16-15-32-23-7-2-3-8-23/h4-6,9-12,17,22-23,27,30H,2-3,7-8,13-16,18-19H2,1H3,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432707 (LK-204-545 | LK-204545) Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027875 (CHEMBL2348202) Show SMILES OC(CNCCNC(=O)Nc1ccc(Cl)cc1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H34ClN3O5/c26-19-5-7-20(8-6-19)29-25(31)28-14-13-27-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,27,30H,1-4,13-18H2,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25764 (ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...) Show SMILES CC(C)NCC(O)COc1ccccc1CC=C Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP 12177 from human beta-1 adrenergic receptor expressed in CHOK1 cells				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027884 (CHEMBL2348204) Show SMILES OC(CNCCNC(=O)Nc1cccc(Br)c1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H34BrN3O5/c26-19-4-3-5-20(16-19)29-25(31)28-13-12-27-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,27,30H,1-2,6-7,12-15,17-18H2,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432702 (CHEMBL2348211) Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H35N3O5/c29-21(18-26-14-15-27-25(30)28-20-6-2-1-3-7-20)19-33-24-12-10-23(11-13-24)32-17-16-31-22-8-4-5-9-22/h1-3,6-7,10-13,21-22,26,29H,4-5,8-9,14-19H2,(H2,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50423821 (CHEMBL1830486) Show SMILES O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:33,41,t:31| Show InChI InChI=1S/C46H50BF2N5O5S/c48-47(49)53-36(20-21-37(53)30-38-22-25-42(54(38)47)44-14-9-29-60-44)19-16-34-17-23-40(24-18-34)58-33-46(57)52-27-5-1-2-15-45(56)51-28-7-6-26-50-31-39(55)32-59-43-13-8-11-35-10-3-4-12-41(35)43/h3-4,8-14,16-25,29-30,39,50,55H,1-2,5-7,15,26-28,31-33H2,(H,51,56)(H,52,57)/b19-16+/t39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...				J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027888 (CHEMBL2348210) Show SMILES OC(CNCCNC(=O)Nc1cccc(O)c1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H35N3O6/c29-20-5-3-4-19(16-20)28-25(31)27-13-12-26-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,26,29-30H,1-2,6-7,12-15,17-18H2,(H2,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25751 (Bisoprolol | Bisoprolol fumarate | Concor | [2-hyd...) Show SMILES CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1 Show InChI InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
					More data for this Ligand-Target Pair

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