Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'hutchins' and Initial = 'je'   

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 (Homo sapiens (Human))	BDBM50070125 (CHEMBL276659 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...) Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C24H26N2O4/c27-21-10-12-23(13-11-21)30-17-22(28)16-25-15-14-18-6-8-20(9-7-18)26-24(29)19-4-2-1-3-5-19/h1-13,22,25,27-28H,14-17H2,(H,26,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070149 (4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...) Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070138 (4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...) Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070140 (CHEMBL13102 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C19H24N2O4/c1-14(22)21-16-4-2-15(3-5-16)10-11-20-12-18(24)13-25-19-8-6-17(23)7-9-19/h2-9,18,20,23-24H,10-13H2,1H3,(H,21,22)/t18-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070149 (4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...) Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070142 (4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylami...) Show SMILES COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070138 (4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...) Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070150 (CHEMBL13079 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C24H28N2O5S/c27-22-10-12-24(13-11-22)31-17-23(28)16-25-15-14-19-6-8-21(9-7-19)26-32(29,30)18-20-4-2-1-3-5-20/h1-13,23,25-28H,14-18H2/t23-/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	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070140 (CHEMBL13102 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C19H24N2O4/c1-14(22)21-16-4-2-15(3-5-16)10-11-20-12-18(24)13-25-19-8-6-17(23)7-9-19/h2-9,18,20,23-24H,10-13H2,1H3,(H,21,22)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50071296 (CHEMBL64201 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...) Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1 Show InChI InChI=1S/C22H25IN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/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	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50097007 (4-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...) Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1 Show InChI InChI=1S/C28H32N2O/c1-20-17-21(2)19-23(18-20)28-26(25-8-3-4-9-27(25)30-28)14-16-29-15-6-5-7-22-10-12-24(31)13-11-22/h3-4,8-13,17-19,29-31H,5-7,14-16H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 11: 509-13 (2001) BindingDB Entry DOI: 10.7270/Q2BR8RF8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50071291 (CHEMBL442172 | N-{4-[2-((S)-2-Hydroxy-3-phenoxy-pr...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccccc1 Show InChI InChI=1S/C23H25IN2O4S/c24-19-8-12-23(13-9-19)31(28,29)26-20-10-6-18(7-11-20)14-15-25-16-21(27)17-30-22-4-2-1-3-5-22/h1-13,21,25-27H,14-17H2/t21-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070135 (CHEMBL13238 | Propane-2-sulfonic acid (4-{2-[(S)-2...) Show SMILES CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C20H28N2O5S/c1-15(2)28(25,26)22-17-5-3-16(4-6-17)11-12-21-13-19(24)14-27-20-9-7-18(23)8-10-20/h3-10,15,19,21-24H,11-14H2,1-2H3/t19-/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	58	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070150 (CHEMBL13079 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C24H28N2O5S/c27-22-10-12-24(13-11-22)31-17-23(28)16-25-15-14-19-6-8-21(9-7-19)26-32(29,30)18-20-4-2-1-3-5-20/h1-13,23,25-28H,14-18H2/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070142 (4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylami...) Show SMILES COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/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	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50071291 (CHEMBL442172 | N-{4-[2-((S)-2-Hydroxy-3-phenoxy-pr...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccccc1 Show InChI InChI=1S/C23H25IN2O4S/c24-19-8-12-23(13-9-19)31(28,29)26-20-10-6-18(7-11-20)14-15-25-16-21(27)17-30-22-4-2-1-3-5-22/h1-13,21,25-27H,14-17H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070133 (4-((2S)-2-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...) Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 Show InChI InChI=1S/C18H23NO4/c1-13(10-14-2-4-15(20)5-3-14)19-11-17(22)12-23-18-8-6-16(21)7-9-18/h2-9,13,17,19-22H,10-12H2,1H3/t13-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070133 (4-((2S)-2-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...) Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 Show InChI InChI=1S/C18H23NO4/c1-13(10-14-2-4-15(20)5-3-14)19-11-17(22)12-23-18-8-6-16(21)7-9-18/h2-9,13,17,19-22H,10-12H2,1H3/t13-,17-/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	84	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50071300 (4-Ethyl-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)...) Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1 Show InChI InChI=1S/C24H29N3O4S/c1-2-19-7-11-24(12-8-19)32(29,30)27-21-9-5-20(6-10-21)13-15-26-16-22(28)18-31-23-4-3-14-25-17-23/h3-12,14,17,22,26-28H,2,13,15-16,18H2,1H3/t22-/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	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50071278 (CHEMBL304878 | N-(4-{2-[(S)-3-(4-Fluoro-phenoxy)-2...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(F)cc1 Show InChI InChI=1S/C23H24FIN2O4S/c24-18-3-9-22(10-4-18)31-16-21(28)15-26-14-13-17-1-7-20(8-2-17)27-32(29,30)23-11-5-19(25)6-12-23/h1-12,21,26-28H,13-16H2/t21-/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	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070136 (2-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-pheno...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C23H25ClN2O5S/c24-22-3-1-2-4-23(22)32(29,30)26-18-7-5-17(6-8-18)13-14-25-15-20(28)16-31-21-11-9-19(27)10-12-21/h1-12,20,25-28H,13-16H2/t20-/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	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070135 (CHEMBL13238 | Propane-2-sulfonic acid (4-{2-[(S)-2...) Show SMILES CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C20H28N2O5S/c1-15(2)28(25,26)22-17-5-3-16(4-6-17)11-12-21-13-19(24)14-27-20-9-7-18(23)8-10-20/h3-10,15,19,21-24H,11-14H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070141 (2-Phenyl-ethanesulfonic acid (4-{2-[(S)-2-hydroxy-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C25H30N2O5S/c28-23-10-12-25(13-11-23)32-19-24(29)18-26-16-14-21-6-8-22(9-7-21)27-33(30,31)17-15-20-4-2-1-3-5-20/h1-13,24,26-29H,14-19H2/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50071294 (CHEMBL294042 | L-74372 | N-(4-{2-[(S)-2-Hydroxy-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1 Show InChI InChI=1S/C22H24IN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50071290 (CHEMBL304090 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-y...) Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1 Show InChI InChI=1S/C24H30N4O4S/c1-2-18-5-10-23(11-6-18)33(30,31)28-20-7-3-19(4-8-20)13-14-26-15-21(29)17-32-22-9-12-24(25)27-16-22/h3-12,16,21,26,28-29H,2,13-15,17H2,1H3,(H2,25,27)/t21-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070141 (2-Phenyl-ethanesulfonic acid (4-{2-[(S)-2-hydroxy-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C25H30N2O5S/c28-23-10-12-25(13-11-23)32-19-24(29)18-26-16-14-21-6-8-22(9-7-21)27-33(30,31)17-15-20-4-2-1-3-5-20/h1-13,24,26-29H,14-19H2/t24-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070152 (CHEMBL276257 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C23H25IN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070152 (CHEMBL276257 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C23H25IN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50096979 (4-{4-[2-(2-Naphthalen-1-yl-1H-indol-3-yl)-ethylami...) Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cccc3ccccc23)cc1 Show InChI InChI=1S/C30H30N2O/c33-24-17-15-22(16-18-24)8-5-6-20-31-21-19-28-26-12-3-4-14-29(26)32-30(28)27-13-7-10-23-9-1-2-11-25(23)27/h1-4,7,9-18,31-33H,5-6,8,19-21H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 11: 509-13 (2001) BindingDB Entry DOI: 10.7270/Q2BR8RF8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070155 (3-Phenyl-propane-1-sulfonic acid (4-{2-[(S)-2-hydr...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C26H32N2O5S/c29-24-12-14-26(15-13-24)33-20-25(30)19-27-17-16-22-8-10-23(11-9-22)28-34(31,32)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,25,27-30H,4,7,16-20H2/t25-/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	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070129 (CHEMBL12686 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C24H28N2O6S/c1-31-22-10-12-24(13-11-22)33(29,30)26-19-4-2-18(3-5-19)14-15-25-16-21(28)17-32-23-8-6-20(27)7-9-23/h2-13,21,25-28H,14-17H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand.				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50071292 (CHEMBL67886 | N-(4-{2-[(S)-2-Hydroxy-3-(4-methoxy-...) Show SMILES COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 Show InChI InChI=1S/C24H27IN2O5S/c1-31-22-8-10-23(11-9-22)32-17-21(28)16-26-15-14-18-2-6-20(7-3-18)27-33(29,30)24-12-4-19(25)5-13-24/h2-13,21,26-28H,14-17H2,1H3/t21-/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	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070131 (CHEMBL12718 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C24H28N2O5S/c1-18-2-12-24(13-3-18)32(29,30)26-20-6-4-19(5-7-20)14-15-25-16-22(28)17-31-23-10-8-21(27)9-11-23/h2-13,22,25-28H,14-17H2,1H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand.				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070153 (4-(2-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]a...) Show SMILES O[C@@H](CNCCc1ccc(O)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C17H21NO4/c19-14-3-1-13(2-4-14)9-10-18-11-16(21)12-22-17-7-5-15(20)6-8-17/h1-8,16,18-21H,9-12H2/t16-/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	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070152 (CHEMBL276257 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C23H25IN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50096995 (4-(4-{2-[2-(3,5-Dichloro-phenyl)-1H-indol-3-yl]-et...) Show SMILES Oc1ccc(CCCCNCCc2c([nH]c3ccccc23)-c2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C26H26Cl2N2O/c27-20-15-19(16-21(28)17-20)26-24(23-6-1-2-7-25(23)30-26)12-14-29-13-4-3-5-18-8-10-22(31)11-9-18/h1-2,6-11,15-17,29-31H,3-5,12-14H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 11: 509-13 (2001) BindingDB Entry DOI: 10.7270/Q2BR8RF8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070152 (CHEMBL276257 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C23H25IN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070131 (CHEMBL12718 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C24H28N2O5S/c1-18-2-12-24(13-3-18)32(29,30)26-20-6-4-19(5-7-20)14-15-25-16-22(28)17-31-23-10-8-21(27)9-11-23/h2-13,22,25-28H,14-17H2,1H3/t22-/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	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070132 ((S)-N-(4-(2-(2-hydroxy-3-(4-hydroxyphenoxy)propyla...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C23H26N2O5S/c26-20-10-12-22(13-11-20)30-17-21(27)16-24-15-14-18-6-8-19(9-7-18)25-31(28,29)23-4-2-1-3-5-23/h1-13,21,24-27H,14-17H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070143 (4-Bromo-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-phenox...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C23H25BrN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/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	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070129 (CHEMBL12686 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C24H28N2O6S/c1-31-22-10-12-24(13-11-22)33(29,30)26-19-4-2-18(3-5-19)14-15-25-16-21(28)17-32-23-8-6-20(27)7-9-23/h2-13,21,25-28H,14-17H2,1H3/t21-/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	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070132 ((S)-N-(4-(2-(2-hydroxy-3-(4-hydroxyphenoxy)propyla...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C23H26N2O5S/c26-20-10-12-22(13-11-20)30-17-21(27)16-24-15-14-18-6-8-19(9-7-18)25-31(28,29)23-4-2-1-3-5-23/h1-13,21,24-27H,14-17H2/t21-/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	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50097011 (4-(2-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...) Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCc1ccc(O)cc1 Show InChI InChI=1S/C26H28N2O/c1-18-15-19(2)17-21(16-18)26-24(23-5-3-4-6-25(23)28-26)12-14-27-13-11-20-7-9-22(29)10-8-20/h3-10,15-17,27-29H,11-14H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 11: 509-13 (2001) BindingDB Entry DOI: 10.7270/Q2BR8RF8
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50096988 (4-(5-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-et...) Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccccc2c1CCNCCCCCc1ccc(O)cc1 Show InChI InChI=1S/C29H34N2O/c1-21-18-22(2)20-24(19-21)29-27(26-9-5-6-10-28(26)31-29)15-17-30-16-7-3-4-8-23-11-13-25(32)14-12-23/h5-6,9-14,18-20,30-32H,3-4,7-8,15-17H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 11: 509-13 (2001) BindingDB Entry DOI: 10.7270/Q2BR8RF8
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50096982 (4-{4-[2-(2-m-Tolyl-1H-indol-3-yl)-ethylamino]-buty...) Show SMILES Cc1cccc(c1)-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1 Show InChI InChI=1S/C27H30N2O/c1-20-7-6-9-22(19-20)27-25(24-10-2-3-11-26(24)29-27)16-18-28-17-5-4-8-21-12-14-23(30)15-13-21/h2-3,6-7,9-15,19,28-30H,4-5,8,16-18H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 11: 509-13 (2001) BindingDB Entry DOI: 10.7270/Q2BR8RF8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070145 (CHEMBL12188 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C18H24N2O5S/c1-26(23,24)20-15-4-2-14(3-5-15)10-11-19-12-17(22)13-25-18-8-6-16(21)7-9-18/h2-9,17,19-22H,10-13H2,1H3/t17-/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	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50071285 (4-Bromo-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)COc1cccnc1 Show InChI InChI=1S/C22H24BrN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/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	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070125 (CHEMBL276659 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...) Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C24H26N2O4/c27-21-10-12-23(13-11-21)30-17-22(28)16-25-15-14-18-6-8-20(9-7-18)26-24(29)19-4-2-1-3-5-19/h1-13,22,25,27-28H,14-17H2,(H,26,29)/t22-/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	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070128 (CHEMBL12769 | Quinoline-3-sulfonic acid (4-{2-[(S)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C26H27N3O5S/c30-22-9-11-24(12-10-22)34-18-23(31)16-27-14-13-19-5-7-21(8-6-19)29-35(32,33)25-15-20-3-1-2-4-26(20)28-17-25/h1-12,15,17,23,27,29-31H,13-14,16,18H2/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070137 (CHEMBL12498 | Pentane-1-sulfonic acid (4-{2-[(S)-2...) Show SMILES CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C22H32N2O5S/c1-2-3-4-15-30(27,28)24-19-7-5-18(6-8-19)13-14-23-16-21(26)17-29-22-11-9-20(25)10-12-22/h5-12,21,23-26H,2-4,13-17H2,1H3/t21-/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	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair

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