Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50008665   

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))	BDBM50075892 (CHEMBL83753 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C32H41N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,22-24,31,34-35,38H,2-7,18,20-21,25H2,1H3/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075895 (CHEMBL83698 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1c(O)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C32H41N5O5S/c1-2-3-4-5-6-7-21-36-31(39)24-37(32(36)40)28-14-16-29(17-15-28)43(41,42)35-27-12-10-25(11-13-27)18-20-34-23-30(38)26-9-8-19-33-22-26/h8-17,19,22,24,30,34-35,38-39H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075894 (CHEMBL163579 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCCCCn1cnn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H40N6O4S/c1-2-3-4-5-6-7-21-36-24-34-37(31(36)39)28-14-16-29(17-15-28)42(40,41)35-27-12-10-25(11-13-27)18-20-33-23-30(38)26-9-8-19-32-22-26/h8-17,19,22,24,30,33,35,38H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075894 (CHEMBL163579 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCCCCn1cnn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H40N6O4S/c1-2-3-4-5-6-7-21-36-24-34-37(31(36)39)28-14-16-29(17-15-28)42(40,41)35-27-12-10-25(11-13-27)18-20-33-23-30(38)26-9-8-19-32-22-26/h8-17,19,22,24,30,33,35,38H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075883 (4-(3-Hexyl-4-methyl-2-oxo-2,3-dihydro-imidazol-1-y...) Show SMILES CCCCCCn1c(C)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H39N5O4S/c1-3-4-5-6-20-35-24(2)23-36(31(35)38)28-13-15-29(16-14-28)41(39,40)34-27-11-9-25(10-12-27)17-19-33-22-30(37)26-8-7-18-32-21-26/h7-16,18,21,23,30,33-34,37H,3-6,17,19-20,22H2,1-2H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075882 (CHEMBL163531 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCCCCn1ncn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H40N6O4S/c1-2-3-4-5-6-7-21-37-31(39)36(24-34-37)28-14-16-29(17-15-28)42(40,41)35-27-12-10-25(11-13-27)18-20-33-23-30(38)26-9-8-19-32-22-26/h8-17,19,22,24,30,33,35,38H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075891 (4-(3-Hexyl-2,4-dioxo-imidazolidin-1-yl)-N-{4-[2-((...) Show SMILES CCCCCCn1c(O)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C30H37N5O5S/c1-2-3-4-5-19-34-29(37)22-35(30(34)38)26-12-14-27(15-13-26)41(39,40)33-25-10-8-23(9-11-25)16-18-32-21-28(36)24-7-6-17-31-20-24/h6-15,17,20,22,28,32-33,36-37H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075882 (CHEMBL163531 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCCCCn1ncn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H40N6O4S/c1-2-3-4-5-6-7-21-37-31(39)36(24-34-37)28-14-16-29(17-15-28)42(40,41)35-27-12-10-25(11-13-27)18-20-33-23-30(38)26-9-8-19-32-22-26/h8-17,19,22,24,30,33,35,38H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075885 (CHEMBL79363 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1c(C)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C33H43N5O4S/c1-3-4-5-6-7-8-22-37-26(2)25-38(33(37)40)30-15-17-31(18-16-30)43(41,42)36-29-13-11-27(12-14-29)19-21-35-24-32(39)28-10-9-20-34-23-28/h9-18,20,23,25,32,35-36,39H,3-8,19,21-22,24H2,1-2H3/t32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075896 (4-(3-Hexyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-2...) Show SMILES CCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C30H39N5O4S/c1-2-3-4-5-19-34-20-21-35(30(34)37)27-12-14-28(15-13-27)40(38,39)33-26-10-8-24(9-11-26)16-18-32-23-29(36)25-7-6-17-31-22-25/h6-15,17,22,29,32-33,36H,2-5,16,18-21,23H2,1H3/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075895 (CHEMBL83698 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1c(O)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C32H41N5O5S/c1-2-3-4-5-6-7-21-36-31(39)24-37(32(36)40)28-14-16-29(17-15-28)43(41,42)35-27-12-10-25(11-13-27)18-20-34-23-30(38)26-9-8-19-33-22-26/h8-17,19,22,24,30,34-35,38-39H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075886 (CHEMBL312364 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCCCCn1c(=O)[nH]n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H40N6O5S/c1-2-3-4-5-6-7-21-36-30(39)34-37(31(36)40)27-14-16-28(17-15-27)43(41,42)35-26-12-10-24(11-13-26)18-20-33-23-29(38)25-9-8-19-32-22-25/h8-17,19,22,29,33,35,38H,2-7,18,20-21,23H2,1H3,(H,34,39)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075884 (4-(4-Hexyl-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)-...) Show SMILES CCCCCCn1cnn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C29H36N6O4S/c1-2-3-4-5-19-34-22-32-35(29(34)37)26-12-14-27(15-13-26)40(38,39)33-25-10-8-23(9-11-25)16-18-31-21-28(36)24-7-6-17-30-20-24/h6-15,17,20,22,28,31,33,36H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075887 (CHEMBL66936 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1cc(O)n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C32H41N5O5S/c1-2-3-4-5-6-7-21-36-24-31(39)37(32(36)40)28-14-16-29(17-15-28)43(41,42)35-27-12-10-25(11-13-27)18-20-34-23-30(38)26-9-8-19-33-22-26/h8-17,19,22,24,30,34-35,38-39H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075887 (CHEMBL66936 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1cc(O)n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C32H41N5O5S/c1-2-3-4-5-6-7-21-36-24-31(39)37(32(36)40)28-14-16-29(17-15-28)43(41,42)35-27-12-10-25(11-13-27)18-20-34-23-30(38)26-9-8-19-33-22-26/h8-17,19,22,24,30,34-35,38-39H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075896 (4-(3-Hexyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-2...) Show SMILES CCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C30H39N5O4S/c1-2-3-4-5-19-34-20-21-35(30(34)37)27-12-14-28(15-13-27)40(38,39)33-26-10-8-24(9-11-26)16-18-32-23-29(36)25-7-6-17-31-22-25/h6-15,17,22,29,32-33,36H,2-5,16,18-21,23H2,1H3/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075892 (CHEMBL83753 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C32H41N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,22-24,31,34-35,38H,2-7,18,20-21,25H2,1H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075883 (4-(3-Hexyl-4-methyl-2-oxo-2,3-dihydro-imidazol-1-y...) Show SMILES CCCCCCn1c(C)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H39N5O4S/c1-3-4-5-6-20-35-24(2)23-36(31(35)38)28-13-15-29(16-14-28)41(39,40)34-27-11-9-25(10-12-27)17-19-33-22-30(37)26-8-7-18-32-21-26/h7-16,18,21,23,30,33-34,37H,3-6,17,19-20,22H2,1-2H3/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075885 (CHEMBL79363 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1c(C)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C33H43N5O4S/c1-3-4-5-6-7-8-22-37-26(2)25-38(33(37)40)30-15-17-31(18-16-30)43(41,42)36-29-13-11-27(12-14-29)19-21-35-24-32(39)28-10-9-20-34-23-28/h9-18,20,23,25,32,35-36,39H,3-8,19,21-22,24H2,1-2H3/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075891 (4-(3-Hexyl-2,4-dioxo-imidazolidin-1-yl)-N-{4-[2-((...) Show SMILES CCCCCCn1c(O)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C30H37N5O5S/c1-2-3-4-5-19-34-29(37)22-35(30(34)38)26-12-14-27(15-13-26)41(39,40)33-25-10-8-23(9-11-25)16-18-32-21-28(36)24-7-6-17-31-20-24/h6-15,17,20,22,28,32-33,36-37H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075888 (4-(1-Hexyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl)-...) Show SMILES CCCCCCn1ncn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C29H36N6O4S/c1-2-3-4-5-19-35-29(37)34(22-32-35)26-12-14-27(15-13-26)40(38,39)33-25-10-8-23(9-11-25)16-18-31-21-28(36)24-7-6-17-30-20-24/h6-15,17,20,22,28,31,33,36H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075884 (4-(4-Hexyl-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)-...) Show SMILES CCCCCCn1cnn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C29H36N6O4S/c1-2-3-4-5-19-34-22-32-35(29(34)37)26-12-14-27(15-13-26)40(38,39)33-25-10-8-23(9-11-25)16-18-31-21-28(36)24-7-6-17-30-20-24/h6-15,17,20,22,28,31,33,36H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075886 (CHEMBL312364 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCCCCn1c(=O)[nH]n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H40N6O5S/c1-2-3-4-5-6-7-21-36-30(39)34-37(31(36)40)27-14-16-28(17-15-27)43(41,42)35-26-12-10-24(11-13-26)18-20-33-23-29(38)25-9-8-19-32-22-25/h8-17,19,22,29,33,35,38H,2-7,18,20-21,23H2,1H3,(H,34,39)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075890 (4-(4-Hexyl-3,5-dioxo-[1,2,4]triazolidin-1-yl)-N-{4...) Show SMILES CCCCCCn1c(=O)[nH]n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C29H36N6O5S/c1-2-3-4-5-19-34-28(37)32-35(29(34)38)25-12-14-26(15-13-25)41(39,40)33-24-10-8-22(9-11-24)16-18-31-21-27(36)23-7-6-17-30-20-23/h6-15,17,20,27,31,33,36H,2-5,16,18-19,21H2,1H3,(H,32,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075890 (4-(4-Hexyl-3,5-dioxo-[1,2,4]triazolidin-1-yl)-N-{4...) Show SMILES CCCCCCn1c(=O)[nH]n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C29H36N6O5S/c1-2-3-4-5-19-34-28(37)32-35(29(34)38)25-12-14-26(15-13-25)41(39,40)33-24-10-8-22(9-11-24)16-18-31-21-27(36)23-7-6-17-30-20-23/h6-15,17,20,27,31,33,36H,2-5,16,18-19,21H2,1H3,(H,32,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075893 (4-(3-Hexyl-2,5-dioxo-imidazolidin-1-yl)-N-{4-[2-((...) Show SMILES CCCCCCn1cc(O)n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C30H37N5O5S/c1-2-3-4-5-19-34-22-29(37)35(30(34)38)26-12-14-27(15-13-26)41(39,40)33-25-10-8-23(9-11-25)16-18-32-21-28(36)24-7-6-17-31-20-24/h6-15,17,20,22,28,32-33,36-37H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075893 (4-(3-Hexyl-2,5-dioxo-imidazolidin-1-yl)-N-{4-[2-((...) Show SMILES CCCCCCn1cc(O)n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C30H37N5O5S/c1-2-3-4-5-19-34-22-29(37)35(30(34)38)26-12-14-27(15-13-26)41(39,40)33-25-10-8-23(9-11-25)16-18-32-21-28(36)24-7-6-17-31-20-24/h6-15,17,20,22,28,32-33,36-37H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075888 (4-(1-Hexyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl)-...) Show SMILES CCCCCCn1ncn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C29H36N6O4S/c1-2-3-4-5-19-35-29(37)34(22-32-35)26-12-14-27(15-13-26)40(38,39)33-25-10-8-23(9-11-25)16-18-31-21-28(36)24-7-6-17-30-20-24/h6-15,17,20,22,28,31,33,36H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075889 (4-(3-Hexyl-2-oxo-2,3-dihydro-imidazol-1-yl)-N-{4-[...) Show SMILES CCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-5-19-34-20-21-35(30(34)37)27-12-14-28(15-13-27)40(38,39)33-26-10-8-24(9-11-26)16-18-32-23-29(36)25-7-6-17-31-22-25/h6-15,17,20-22,29,32-33,36H,2-5,16,18-19,23H2,1H3/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075889 (4-(3-Hexyl-2-oxo-2,3-dihydro-imidazol-1-yl)-N-{4-[...) Show SMILES CCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-5-19-34-20-21-35(30(34)37)27-12-14-28(15-13-27)40(38,39)33-26-10-8-24(9-11-26)16-18-32-23-29(36)25-7-6-17-31-22-25/h6-15,17,20-22,29,32-33,36H,2-5,16,18-19,23H2,1H3/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075891 (4-(3-Hexyl-2,4-dioxo-imidazolidin-1-yl)-N-{4-[2-((...) Show SMILES CCCCCCn1c(O)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C30H37N5O5S/c1-2-3-4-5-19-34-29(37)22-35(30(34)38)26-12-14-27(15-13-26)41(39,40)33-25-10-8-23(9-11-25)16-18-32-21-28(36)24-7-6-17-31-20-24/h6-15,17,20,22,28,32-33,36-37H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075893 (4-(3-Hexyl-2,5-dioxo-imidazolidin-1-yl)-N-{4-[2-((...) Show SMILES CCCCCCn1cc(O)n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C30H37N5O5S/c1-2-3-4-5-19-34-22-29(37)35(30(34)38)26-12-14-27(15-13-26)41(39,40)33-25-10-8-23(9-11-25)16-18-32-21-28(36)24-7-6-17-31-20-24/h6-15,17,20,22,28,32-33,36-37H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075894 (CHEMBL163579 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCCCCn1cnn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H40N6O4S/c1-2-3-4-5-6-7-21-36-24-34-37(31(36)39)28-14-16-29(17-15-28)42(40,41)35-27-12-10-25(11-13-27)18-20-33-23-30(38)26-9-8-19-32-22-26/h8-17,19,22,24,30,33,35,38H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075883 (4-(3-Hexyl-4-methyl-2-oxo-2,3-dihydro-imidazol-1-y...) Show SMILES CCCCCCn1c(C)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H39N5O4S/c1-3-4-5-6-20-35-24(2)23-36(31(35)38)28-13-15-29(16-14-28)41(39,40)34-27-11-9-25(10-12-27)17-19-33-22-30(37)26-8-7-18-32-21-26/h7-16,18,21,23,30,33-34,37H,3-6,17,19-20,22H2,1-2H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	81	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075887 (CHEMBL66936 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1cc(O)n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C32H41N5O5S/c1-2-3-4-5-6-7-21-36-24-31(39)37(32(36)40)28-14-16-29(17-15-28)43(41,42)35-27-12-10-25(11-13-27)18-20-34-23-30(38)26-9-8-19-33-22-26/h8-17,19,22,24,30,34-35,38-39H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075892 (CHEMBL83753 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C32H41N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,22-24,31,34-35,38H,2-7,18,20-21,25H2,1H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075889 (4-(3-Hexyl-2-oxo-2,3-dihydro-imidazol-1-yl)-N-{4-[...) Show SMILES CCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-5-19-34-20-21-35(30(34)37)27-12-14-28(15-13-27)40(38,39)33-26-10-8-24(9-11-26)16-18-32-23-29(36)25-7-6-17-31-22-25/h6-15,17,20-22,29,32-33,36H,2-5,16,18-19,23H2,1H3/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075888 (4-(1-Hexyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl)-...) Show SMILES CCCCCCn1ncn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C29H36N6O4S/c1-2-3-4-5-19-35-29(37)34(22-32-35)26-12-14-27(15-13-26)40(38,39)33-25-10-8-23(9-11-25)16-18-31-21-28(36)24-7-6-17-30-20-24/h6-15,17,20,22,28,31,33,36H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075885 (CHEMBL79363 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1c(C)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C33H43N5O4S/c1-3-4-5-6-7-8-22-37-26(2)25-38(33(37)40)30-15-17-31(18-16-30)43(41,42)36-29-13-11-27(12-14-29)19-21-35-24-32(39)28-10-9-20-34-23-28/h9-18,20,23,25,32,35-36,39H,3-8,19,21-22,24H2,1-2H3/t32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075895 (CHEMBL83698 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCn1c(O)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C32H41N5O5S/c1-2-3-4-5-6-7-21-36-31(39)24-37(32(36)40)28-14-16-29(17-15-28)43(41,42)35-27-12-10-25(11-13-27)18-20-34-23-30(38)26-9-8-19-33-22-26/h8-17,19,22,24,30,34-35,38-39H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075884 (4-(4-Hexyl-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)-...) Show SMILES CCCCCCn1cnn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C29H36N6O4S/c1-2-3-4-5-19-34-22-32-35(29(34)37)26-12-14-27(15-13-26)40(38,39)33-25-10-8-23(9-11-25)16-18-31-21-28(36)24-7-6-17-30-20-24/h6-15,17,20,22,28,31,33,36H,2-5,16,18-19,21H2,1H3/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075882 (CHEMBL163531 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCCCCn1ncn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H40N6O4S/c1-2-3-4-5-6-7-21-37-31(39)36(24-34-37)28-14-16-29(17-15-28)42(40,41)35-27-12-10-25(11-13-27)18-20-33-23-30(38)26-9-8-19-32-22-26/h8-17,19,22,24,30,33,35,38H,2-7,18,20-21,23H2,1H3/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075896 (4-(3-Hexyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-2...) Show SMILES CCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C30H39N5O4S/c1-2-3-4-5-19-34-20-21-35(30(34)37)27-12-14-28(15-13-27)40(38,39)33-26-10-8-24(9-11-26)16-18-32-23-29(36)25-7-6-17-31-22-25/h6-15,17,22,29,32-33,36H,2-5,16,18-21,23H2,1H3/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075886 (CHEMBL312364 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCCCCn1c(=O)[nH]n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C31H40N6O5S/c1-2-3-4-5-6-7-21-36-30(39)34-37(31(36)40)27-14-16-28(17-15-27)43(41,42)35-26-12-10-24(11-13-26)18-20-33-23-29(38)25-9-8-19-32-22-25/h8-17,19,22,29,33,35,38H,2-7,18,20-21,23H2,1H3,(H,34,39)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair