Compile Data Set for Download or QSAR

Found 12 hits of ec50 data for polymerid = 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))	BDBM50337297 (1-Adamantan-1-ylmethyl-3-(3-{2-[2-hydroxy-2-(8-hyd...) Show SMILES OC(CNCCc1cccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c1)c1ccc(O)c2[nH]c(=O)ccc12 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20| Show InChI InChI=1S/C31H38N4O4/c36-26-6-4-24(25-5-7-28(38)35-29(25)26)27(37)17-32-9-8-19-2-1-3-23(13-19)34-30(39)33-18-31-14-20-10-21(15-31)12-22(11-20)16-31/h1-7,13,20-22,27,32,36-37H,8-12,14-18H2,(H,35,38)(H2,33,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	296	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50337292 (1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...) Show SMILES COc1ccccc1CNC(=O)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1 Show InChI InChI=1S/C28H30N4O5/c1-37-25-8-3-2-6-19(25)16-30-28(36)31-20-7-4-5-18(15-20)13-14-29-17-24(34)21-9-11-23(33)27-22(21)10-12-26(35)32-27/h2-12,15,24,29,33-34H,13-14,16-17H2,1H3,(H,32,35)(H2,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50337300 (1-benzyl-3-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2...) Show SMILES OC(CNCCc1cccc(NC(=O)NCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C27H28N4O4/c32-23-11-9-21(22-10-12-25(34)31-26(22)23)24(33)17-28-14-13-18-7-4-8-20(15-18)30-27(35)29-16-19-5-2-1-3-6-19/h1-12,15,24,28,32-33H,13-14,16-17H2,(H,31,34)(H2,29,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50337294 (1-(2,6-dichlorobenzyl)-3-(3-(2-(2-hydroxy-2-(8-hyd...) Show SMILES OC(CNCCc1cccc(NC(=O)NCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C27H26Cl2N4O4/c28-21-5-2-6-22(29)20(21)14-31-27(37)32-17-4-1-3-16(13-17)11-12-30-15-24(35)18-7-9-23(34)26-19(18)8-10-25(36)33-26/h1-10,13,24,30,34-35H,11-12,14-15H2,(H,33,36)(H2,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50318159 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...) Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50337296 (1-(biphenyl-2-yl)-3-(3-(2-(2-hydroxy-2-(8-hydroxy-...) Show SMILES OC(CNCCc1cccc(NC(=O)Nc2ccccc2-c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C32H30N4O4/c37-28-15-13-25(26-14-16-30(39)36-31(26)28)29(38)20-33-18-17-21-7-6-10-23(19-21)34-32(40)35-27-12-5-4-11-24(27)22-8-2-1-3-9-22/h1-16,19,29,33,37-38H,17-18,20H2,(H,36,39)(H2,34,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.77E+3	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50337293 (1-(4-fluorobenzyl)-3-(3-(2-(2-hydroxy-2-(8-hydroxy...) Show SMILES OC(CNCCc1cccc(NC(=O)NCc2ccc(F)cc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C27H27FN4O4/c28-19-6-4-18(5-7-19)15-30-27(36)31-20-3-1-2-17(14-20)12-13-29-16-24(34)21-8-10-23(33)26-22(21)9-11-25(35)32-26/h1-11,14,24,29,33-34H,12-13,15-16H2,(H,32,35)(H2,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50337295 (1-benzhydryl-3-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo...) Show SMILES OC(CNCCc1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C33H32N4O4/c38-28-16-14-26(27-15-17-30(40)36-32(27)28)29(39)21-34-19-18-22-8-7-13-25(20-22)35-33(41)37-31(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-17,20,29,31,34,38-39H,18-19,21H2,(H,36,40)(H2,35,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.89E+3	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50337298 (1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...) Show SMILES OC(CNCCc1cccc(NC(=O)Nc2cccc(Oc3ccccc3)c2)c1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C32H30N4O5/c37-28-14-12-26(27-13-15-30(39)36-31(27)28)29(38)20-33-17-16-21-6-4-7-22(18-21)34-32(40)35-23-8-5-11-25(19-23)41-24-9-2-1-3-10-24/h1-15,18-19,29,33,37-38H,16-17,20H2,(H,36,39)(H2,34,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50337299 (1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...) Show SMILES OC(CNCCc1cccc(NC(=O)Nc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C26H26N4O4/c31-22-11-9-20(21-10-12-24(33)30-25(21)22)23(32)16-27-14-13-17-5-4-8-19(15-17)29-26(34)28-18-6-2-1-3-7-18/h1-12,15,23,27,31-32H,13-14,16H2,(H,30,33)(H2,28,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50337291 (1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...) Show SMILES OC(CNCCc1cccc(NC(=O)NCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C29H32N4O4/c34-25-13-11-23(24-12-14-27(36)33-28(24)25)26(35)19-30-17-15-21-8-4-10-22(18-21)32-29(37)31-16-5-9-20-6-2-1-3-7-20/h1-4,6-8,10-14,18,26,30,34-35H,5,9,15-17,19H2,(H,33,36)(H2,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50337301 (1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...) Show SMILES OC(CNCCc1cccc(NC(=O)NCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C28H30N4O4/c33-24-11-9-22(23-10-12-26(35)32-27(23)24)25(34)18-29-15-13-20-7-4-8-21(17-20)31-28(36)30-16-14-19-5-2-1-3-6-19/h1-12,17,25,29,33-34H,13-16,18H2,(H,32,35)(H2,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect				Bioorg Med Chem Lett 21: 1545-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.096 BindingDB Entry DOI: 10.7270/Q2W09668
					More data for this Ligand-Target Pair