Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50010614   

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))	BDBM50096772 (CHEMBL123745 | Cyanoguanidine derivative) Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(NC(Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)=NC#N)ccc12 |w:40.43| Show InChI InChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-10-32-25-46-36(43-32)44-21-18-28-22-31(15-16-33(28)44)42-35(40-26-37)41-30-13-11-27(12-14-30)17-20-39-24-34(45)29-9-8-19-38-23-29/h8-9,11-16,19,22-23,25,34,39,45H,2-7,10,17-18,20-21,24H2,1H3,(H2,40,41,42)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096769 (CHEMBL124863 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc(Oc3ccccc3)c2)=NC#N)cc1)c1cccnc1 |w:26.28| Show InChI InChI=1S/C29H28N6O2/c30-21-33-29(35-25-7-4-10-27(18-25)37-26-8-2-1-3-9-26)34-24-13-11-22(12-14-24)15-17-32-20-28(36)23-6-5-16-31-19-23/h1-14,16,18-19,28,32,36H,15,17,20H2,(H2,33,34,35)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096777 (CHEMBL127422 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2ccc3ccccc3c2)=NC#N)cc1)c1cccnc1 |w:23.25| Show InChI InChI=1S/C27H26N6O/c28-19-31-27(33-25-12-9-21-4-1-2-5-22(21)16-25)32-24-10-7-20(8-11-24)13-15-30-18-26(34)23-6-3-14-29-17-23/h1-12,14,16-17,26,30,34H,13,15,18H2,(H2,31,32,33)/t26-/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 Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096772 (CHEMBL123745 | Cyanoguanidine derivative) Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(NC(Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)=NC#N)ccc12 |w:40.43| Show InChI InChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-10-32-25-46-36(43-32)44-21-18-28-22-31(15-16-33(28)44)42-35(40-26-37)41-30-13-11-27(12-14-30)17-20-39-24-34(45)29-9-8-19-38-23-29/h8-9,11-16,19,22-23,25,34,39,45H,2-7,10,17-18,20-21,24H2,1H3,(H2,40,41,42)/t34-/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 Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096775 (CHEMBL431678 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2ccc3N(CCc3c2)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1 |w:38.42| Show InChI InChI=1S/C35H31F3N8O2S/c36-35(37,38)48-29-10-5-24(6-11-29)30-21-49-34(45-30)46-17-14-25-18-28(9-12-31(25)46)44-33(42-22-39)43-27-7-3-23(4-8-27)13-16-41-20-32(47)26-2-1-15-40-19-26/h1-12,15,18-19,21,32,41,47H,13-14,16-17,20H2,(H2,42,43,44)/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	65	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096773 (CHEMBL124929 | Cyanoguanidine derivative) Show SMILES CCCCCCCCc1csc(n1)N1CCc2ccc(NC(Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)=NC#N)cc12 |w:41.44| Show InChI InChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-10-32-25-46-36(43-32)44-21-18-28-13-16-31(22-33(28)44)42-35(40-26-37)41-30-14-11-27(12-15-30)17-20-39-24-34(45)29-9-8-19-38-23-29/h8-9,11-16,19,22-23,25,34,39,45H,2-7,10,17-18,20-21,24H2,1H3,(H2,40,41,42)/t34-/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	66	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096781 (CHEMBL125168 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc(I)c2)=NC#N)cc1)c1cccnc1 |w:20.21| Show InChI InChI=1S/C23H23IN6O/c24-19-4-1-5-21(13-19)30-23(28-16-25)29-20-8-6-17(7-9-20)10-12-27-15-22(31)18-3-2-11-26-14-18/h1-9,11,13-14,22,27,31H,10,12,15H2,(H2,28,29,30)/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	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096773 (CHEMBL124929 | Cyanoguanidine derivative) Show SMILES CCCCCCCCc1csc(n1)N1CCc2ccc(NC(Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)=NC#N)cc12 |w:41.44| Show InChI InChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-10-32-25-46-36(43-32)44-21-18-28-13-16-31(22-33(28)44)42-35(40-26-37)41-30-14-11-27(12-15-30)17-20-39-24-34(45)29-9-8-19-38-23-29/h8-9,11-16,19,22-23,25,34,39,45H,2-7,10,17-18,20-21,24H2,1H3,(H2,40,41,42)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096778 (1-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-...) Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(NC(=S)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)ccc12 Show InChI InChI=1S/C35H44N6OS2/c1-2-3-4-5-6-7-10-31-25-44-35(40-31)41-21-18-27-22-30(15-16-32(27)41)39-34(43)38-29-13-11-26(12-14-29)17-20-37-24-33(42)28-9-8-19-36-23-28/h8-9,11-16,19,22-23,25,33,37,42H,2-7,10,17-18,20-21,24H2,1H3,(H2,38,39,43)/t33-/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 Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096762 (CHEMBL338618 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cc(Cl)cc(Cl)c2)=NC#N)cc1)c1cccnc1 |w:21.22| Show InChI InChI=1S/C23H22Cl2N6O/c24-18-10-19(25)12-21(11-18)31-23(29-15-26)30-20-5-3-16(4-6-20)7-9-28-14-22(32)17-2-1-8-27-13-17/h1-6,8,10-13,22,28,32H,7,9,14H2,(H2,29,30,31)/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	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096771 (CHEMBL126055 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2ccc(I)cc2)=NC#N)cc1)c1cccnc1 |w:20.21| Show InChI InChI=1S/C23H23IN6O/c24-19-5-9-21(10-6-19)30-23(28-16-25)29-20-7-3-17(4-8-20)11-13-27-15-22(31)18-2-1-12-26-14-18/h1-10,12,14,22,27,31H,11,13,15H2,(H2,28,29,30)/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 to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096775 (CHEMBL431678 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2ccc3N(CCc3c2)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1 |w:38.42| Show InChI InChI=1S/C35H31F3N8O2S/c36-35(37,38)48-29-10-5-24(6-11-29)30-21-49-34(45-30)46-17-14-25-18-28(9-12-31(25)46)44-33(42-22-39)43-27-7-3-23(4-8-27)13-16-41-20-32(47)26-2-1-15-40-19-26/h1-12,15,18-19,21,32,41,47H,13-14,16-17,20H2,(H2,42,43,44)/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	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096763 (CHEMBL124668 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc(F)c2)=NC#N)cc1)c1cccnc1 |w:20.21| Show InChI InChI=1S/C23H23FN6O/c24-19-4-1-5-21(13-19)30-23(28-16-25)29-20-8-6-17(7-9-20)10-12-27-15-22(31)18-3-2-11-26-14-18/h1-9,11,13-14,22,27,31H,10,12,15H2,(H2,28,29,30)/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	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096766 ((R)-2-(2-{4-[2-Nitro-1-(3-phenoxy-phenylamino)-vin...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(Oc3ccccc3)c2)cc1)c1cccnc1 Show InChI InChI=1S/C29H28N5O4/c35-28(23-6-5-16-30-19-23)20-31-17-15-22-11-13-24(14-12-22)32-29(21-34(36)37)33-25-7-4-10-27(18-25)38-26-8-2-1-3-9-26/h1-14,16,18-19,21,28,31,35H,15,17,20H2,(H,32,33)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096781 (CHEMBL125168 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc(I)c2)=NC#N)cc1)c1cccnc1 |w:20.21| Show InChI InChI=1S/C23H23IN6O/c24-19-4-1-5-21(13-19)30-23(28-16-25)29-20-8-6-17(7-9-20)10-12-27-15-22(31)18-3-2-11-26-14-18/h1-9,11,13-14,22,27,31H,10,12,15H2,(H2,28,29,30)/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	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096769 (CHEMBL124863 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc(Oc3ccccc3)c2)=NC#N)cc1)c1cccnc1 |w:26.28| Show InChI InChI=1S/C29H28N6O2/c30-21-33-29(35-25-7-4-10-27(18-25)37-26-8-2-1-3-9-26)34-24-13-11-22(12-14-24)15-17-32-20-28(36)23-6-5-16-31-19-23/h1-14,16,18-19,28,32,36H,15,17,20H2,(H2,33,34,35)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096778 (1-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-...) Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(NC(=S)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)ccc12 Show InChI InChI=1S/C35H44N6OS2/c1-2-3-4-5-6-7-10-31-25-44-35(40-31)41-21-18-27-22-30(15-16-32(27)41)39-34(43)38-29-13-11-26(12-14-29)17-20-37-24-33(42)28-9-8-19-36-23-28/h8-9,11-16,19,22-23,25,33,37,42H,2-7,10,17-18,20-21,24H2,1H3,(H2,38,39,43)/t33-/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	260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096762 (CHEMBL338618 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cc(Cl)cc(Cl)c2)=NC#N)cc1)c1cccnc1 |w:21.22| Show InChI InChI=1S/C23H22Cl2N6O/c24-18-10-19(25)12-21(11-18)31-23(29-15-26)30-20-5-3-16(4-6-20)7-9-28-14-22(32)17-2-1-8-27-13-17/h1-6,8,10-13,22,28,32H,7,9,14H2,(H2,29,30,31)/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	290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096783 ((R)-2-(2-{4-[1-(Naphthalen-1-ylamino)-2-nitro-viny...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc3ccccc23)cc1)c1cccnc1 Show InChI InChI=1S/C27H26N5O3/c33-26(22-7-4-15-28-17-22)18-29-16-14-20-10-12-23(13-11-20)30-27(19-32(34)35)31-25-9-3-6-21-5-1-2-8-24(21)25/h1-13,15,17,19,26,29,33H,14,16,18H2,(H,30,31)/q-1/p+1	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 to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096784 (CHEMBL332010 | Cyanoguanidine derivative) Show SMILES NC(=O)c1cccc(NC(Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)=NC#N)c1 |w:29.31| Show InChI InChI=1S/C24H25N7O2/c25-16-29-24(31-21-5-1-3-18(13-21)23(26)33)30-20-8-6-17(7-9-20)10-12-28-15-22(32)19-4-2-11-27-14-19/h1-9,11,13-14,22,28,32H,10,12,15H2,(H2,26,33)(H2,29,30,31)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096782 (CHEMBL439794 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc3ccccc23)=NC#N)cc1)c1cccnc1 |w:23.25| Show InChI InChI=1S/C27H26N6O/c28-19-31-27(33-25-9-3-6-21-5-1-2-8-24(21)25)32-23-12-10-20(11-13-23)14-16-30-18-26(34)22-7-4-15-29-17-22/h1-13,15,17,26,30,34H,14,16,18H2,(H2,31,32,33)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096782 (CHEMBL439794 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc3ccccc23)=NC#N)cc1)c1cccnc1 |w:23.25| Show InChI InChI=1S/C27H26N6O/c28-19-31-27(33-25-9-3-6-21-5-1-2-8-24(21)25)32-23-12-10-20(11-13-23)14-16-30-18-26(34)22-7-4-15-29-17-22/h1-13,15,17,26,30,34H,14,16,18H2,(H2,31,32,33)/t26-/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	570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096763 (CHEMBL124668 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc(F)c2)=NC#N)cc1)c1cccnc1 |w:20.21| Show InChI InChI=1S/C23H23FN6O/c24-19-4-1-5-21(13-19)30-23(28-16-25)29-20-8-6-17(7-9-20)10-12-27-15-22(31)18-3-2-11-26-14-18/h1-9,11,13-14,22,27,31H,10,12,15H2,(H2,28,29,30)/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	590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096774 (CHEMBL332132 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2ccc3CCN(c4nc(cs4)-c4ccc(OC(F)(F)F)cc4)c3c2)=NC#N)cc1)c1cccnc1 |w:38.42| Show InChI InChI=1S/C35H31F3N8O2S/c36-35(37,38)48-29-11-6-24(7-12-29)30-21-49-34(45-30)46-17-14-25-5-10-28(18-31(25)46)44-33(42-22-39)43-27-8-3-23(4-9-27)13-16-41-20-32(47)26-2-1-15-40-19-26/h1-12,15,18-19,21,32,41,47H,13-14,16-17,20H2,(H2,42,43,44)/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	620	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096774 (CHEMBL332132 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2ccc3CCN(c4nc(cs4)-c4ccc(OC(F)(F)F)cc4)c3c2)=NC#N)cc1)c1cccnc1 |w:38.42| Show InChI InChI=1S/C35H31F3N8O2S/c36-35(37,38)48-29-11-6-24(7-12-29)30-21-49-34(45-30)46-17-14-25-5-10-28(18-31(25)46)44-33(42-22-39)43-27-8-3-23(4-9-27)13-16-41-20-32(47)26-2-1-15-40-19-26/h1-12,15,18-19,21,32,41,47H,13-14,16-17,20H2,(H2,42,43,44)/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	710	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096771 (CHEMBL126055 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2ccc(I)cc2)=NC#N)cc1)c1cccnc1 |w:20.21| Show InChI InChI=1S/C23H23IN6O/c24-19-5-9-21(10-6-19)30-23(28-16-25)29-20-7-3-17(4-8-20)11-13-27-15-22(31)18-2-1-12-26-14-18/h1-10,12,14,22,27,31H,11,13,15H2,(H2,28,29,30)/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	730	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096777 (CHEMBL127422 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2ccc3ccccc3c2)=NC#N)cc1)c1cccnc1 |w:23.25| Show InChI InChI=1S/C27H26N6O/c28-19-31-27(33-25-12-9-21-4-1-2-5-22(21)16-25)32-24-10-7-20(8-11-24)13-15-30-18-26(34)23-6-3-14-29-17-23/h1-12,14,16-17,26,30,34H,13,15,18H2,(H2,31,32,33)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096767 (3-(1-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamin...) Show SMILES NC(=O)c1cccc(c1)\[NH+]=C(/[CH-][N+]([O-])=O)Nc1ccc(CCNCC(O)c2cccnc2)cc1 Show InChI InChI=1S/C24H25N6O4/c25-24(32)18-3-1-5-21(13-18)29-23(16-30(33)34)28-20-8-6-17(7-9-20)10-12-27-15-22(31)19-4-2-11-26-14-19/h1-9,11,13-14,16,22,27,31H,10,12,15H2,(H2,25,32)(H,28,29)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096779 ((R)-2-(2-{4-[1-(Naphthalen-2-ylamino)-2-nitro-viny...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2ccc3ccccc3c2)cc1)c1cccnc1 Show InChI InChI=1S/C27H26N5O3/c33-26(23-6-3-14-28-17-23)18-29-15-13-20-7-10-24(11-8-20)30-27(19-32(34)35)31-25-12-9-21-4-1-2-5-22(21)16-25/h1-12,14,16-17,19,26,29,33H,13,15,18H2,(H,30,31)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096766 ((R)-2-(2-{4-[2-Nitro-1-(3-phenoxy-phenylamino)-vin...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(Oc3ccccc3)c2)cc1)c1cccnc1 Show InChI InChI=1S/C29H28N5O4/c35-28(23-6-5-16-30-19-23)20-31-17-15-22-11-13-24(14-12-22)32-29(21-34(36)37)33-25-7-4-10-27(18-25)38-26-8-2-1-3-9-26/h1-14,16,18-19,21,28,31,35H,15,17,20H2,(H,32,33)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096764 (CHEMBL127656 | Cyanoguanidine derivative) Show SMILES CCCCCCCCc1csc(n1)N1CCc2c1cccc2NC(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)=NC#N |w:43.48| Show InChI InChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-11-30-25-46-36(42-30)44-22-19-31-32(12-8-13-33(31)44)43-35(40-26-37)41-29-16-14-27(15-17-29)18-21-39-24-34(45)28-10-9-20-38-23-28/h8-10,12-17,20,23,25,34,39,45H,2-7,11,18-19,21-22,24H2,1H3,(H2,40,41,43)/t34-/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	930	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096784 (CHEMBL332010 | Cyanoguanidine derivative) Show SMILES NC(=O)c1cccc(NC(Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)=NC#N)c1 |w:29.31| Show InChI InChI=1S/C24H25N7O2/c25-16-29-24(31-21-5-1-3-18(13-21)23(26)33)30-20-8-6-17(7-9-20)10-12-28-15-22(32)19-4-2-11-27-14-19/h1-9,11,13-14,22,28,32H,10,12,15H2,(H2,26,33)(H2,29,30,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096761 ((R)-2-(2-{4-[1-(3-Iodo-phenylamino)-2-nitro-vinyla...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(I)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H23IN5O3/c24-19-4-1-5-21(13-19)28-23(16-29(31)32)27-20-8-6-17(7-9-20)10-12-26-15-22(30)18-3-2-11-25-14-18/h1-9,11,13-14,16,22,26,30H,10,12,15H2,(H,27,28)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096764 (CHEMBL127656 | Cyanoguanidine derivative) Show SMILES CCCCCCCCc1csc(n1)N1CCc2c1cccc2NC(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)=NC#N |w:43.48| Show InChI InChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-11-30-25-46-36(42-30)44-22-19-31-32(12-8-13-33(31)44)43-35(40-26-37)41-29-16-14-27(15-17-29)18-21-39-24-34(45)28-10-9-20-38-23-28/h8-10,12-17,20,23,25,34,39,45H,2-7,11,18-19,21-22,24H2,1H3,(H2,40,41,43)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096761 ((R)-2-(2-{4-[1-(3-Iodo-phenylamino)-2-nitro-vinyla...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(I)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H23IN5O3/c24-19-4-1-5-21(13-19)28-23(16-29(31)32)27-20-8-6-17(7-9-20)10-12-26-15-22(30)18-3-2-11-25-14-18/h1-9,11,13-14,16,22,26,30H,10,12,15H2,(H,27,28)/q-1/p+1	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096767 (3-(1-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamin...) Show SMILES NC(=O)c1cccc(c1)\[NH+]=C(/[CH-][N+]([O-])=O)Nc1ccc(CCNCC(O)c2cccnc2)cc1 Show InChI InChI=1S/C24H25N6O4/c25-24(32)18-3-1-5-21(13-18)29-23(16-30(33)34)28-20-8-6-17(7-9-20)10-12-27-15-22(31)19-4-2-11-26-14-19/h1-9,11,13-14,16,22,27,31H,10,12,15H2,(H2,25,32)(H,28,29)/q-1/p+1	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096780 (1-(4-Octyl-thiazol-2-yl)-2,3-dihydro-1H-indole-5-s...) Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C34H43N5O3S2/c1-2-3-4-5-6-7-10-30-25-43-34(37-30)39-21-18-27-22-31(15-16-32(27)39)44(41,42)38-29-13-11-26(12-14-29)17-20-36-24-33(40)28-9-8-19-35-23-28/h8-9,11-16,19,22-23,25,33,36,38,40H,2-7,10,17-18,20-21,24H2,1H3/t33-/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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096783 ((R)-2-(2-{4-[1-(Naphthalen-1-ylamino)-2-nitro-viny...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc3ccccc23)cc1)c1cccnc1 Show InChI InChI=1S/C27H26N5O3/c33-26(22-7-4-15-28-17-22)18-29-16-14-20-10-12-23(13-11-20)30-27(19-32(34)35)31-25-9-3-6-21-5-1-2-8-24(21)25/h1-13,15,17,19,26,29,33H,14,16,18H2,(H,30,31)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096770 (CHEMBL124597 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc2cc(NC(Nc3ccc4N(CCc4c3)c3nc(cs3)-c3ccc(OC(F)(F)F)cc3)=NC#N)ccc2c1)c1cccnc1 |w:40.44| Show InChI InChI=1S/C39H33F3N8O2S/c40-39(41,42)52-33-10-6-26(7-11-33)34-23-53-38(49-34)50-17-14-29-20-32(9-12-35(29)50)48-37(46-24-43)47-31-8-5-27-18-25(3-4-28(27)19-31)13-16-45-22-36(51)30-2-1-15-44-21-30/h1-12,15,18-21,23,36,45,51H,13-14,16-17,22H2,(H2,46,47,48)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096776 ((R)-2-(2-{4-[1-(3-Fluoro-phenylamino)-2-nitro-viny...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(F)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H23FN5O3/c24-19-4-1-5-21(13-19)28-23(16-29(31)32)27-20-8-6-17(7-9-20)10-12-26-15-22(30)18-3-2-11-25-14-18/h1-9,11,13-14,16,22,26,30H,10,12,15H2,(H,27,28)/q-1/p+1	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096780 (1-(4-Octyl-thiazol-2-yl)-2,3-dihydro-1H-indole-5-s...) Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C34H43N5O3S2/c1-2-3-4-5-6-7-10-30-25-43-34(37-30)39-21-18-27-22-31(15-16-32(27)39)44(41,42)38-29-13-11-26(12-14-29)17-20-36-24-33(40)28-9-8-19-35-23-28/h8-9,11-16,19,22-23,25,33,36,38,40H,2-7,10,17-18,20-21,24H2,1H3/t33-/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 for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096776 ((R)-2-(2-{4-[1-(3-Fluoro-phenylamino)-2-nitro-viny...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(F)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H23FN5O3/c24-19-4-1-5-21(13-19)28-23(16-29(31)32)27-20-8-6-17(7-9-20)10-12-26-15-22(30)18-3-2-11-25-14-18/h1-9,11,13-14,16,22,26,30H,10,12,15H2,(H,27,28)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096779 ((R)-2-(2-{4-[1-(Naphthalen-2-ylamino)-2-nitro-viny...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2ccc3ccccc3c2)cc1)c1cccnc1 Show InChI InChI=1S/C27H26N5O3/c33-26(23-6-3-14-28-17-23)18-29-15-13-20-7-10-24(11-8-20)30-27(19-32(34)35)31-25-12-9-21-4-1-2-5-22(21)16-25/h1-12,14,16-17,19,26,29,33H,13,15,18H2,(H,30,31)/q-1/p+1	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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096765 ((R)-2-(2-{4-[1-(3,5-Dichloro-phenylamino)-2-nitro-...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cc(Cl)cc(Cl)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H22Cl2N5O3/c24-18-10-19(25)12-21(11-18)29-23(15-30(32)33)28-20-5-3-16(4-6-20)7-9-27-14-22(31)17-2-1-8-26-13-17/h1-6,8,10-13,15,22,27,31H,7,9,14H2,(H,28,29)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096765 ((R)-2-(2-{4-[1-(3,5-Dichloro-phenylamino)-2-nitro-...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cc(Cl)cc(Cl)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H22Cl2N5O3/c24-18-10-19(25)12-21(11-18)29-23(15-30(32)33)28-20-5-3-16(4-6-20)7-9-27-14-22(31)17-2-1-8-26-13-17/h1-6,8,10-13,15,22,27,31H,7,9,14H2,(H,28,29)/q-1/p+1	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096770 (CHEMBL124597 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc2cc(NC(Nc3ccc4N(CCc4c3)c3nc(cs3)-c3ccc(OC(F)(F)F)cc3)=NC#N)ccc2c1)c1cccnc1 |w:40.44| Show InChI InChI=1S/C39H33F3N8O2S/c40-39(41,42)52-33-10-6-26(7-11-33)34-23-53-38(49-34)50-17-14-29-20-32(9-12-35(29)50)48-37(46-24-43)47-31-8-5-27-18-25(3-4-28(27)19-31)13-16-45-22-36(51)30-2-1-15-44-21-30/h1-12,15,18-21,23,36,45,51H,13-14,16-17,22H2,(H2,46,47,48)/t36-/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	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096768 (CHEMBL120238 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc3N(CCc23)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1 |w:38.42| Show InChI InChI=1S/C35H31F3N8O2S/c36-35(37,38)48-27-12-8-24(9-13-27)30-21-49-34(45-30)46-18-15-28-29(4-1-5-31(28)46)44-33(42-22-39)43-26-10-6-23(7-11-26)14-17-41-20-32(47)25-3-2-16-40-19-25/h1-13,16,19,21,32,41,47H,14-15,17-18,20H2,(H2,42,43,44)/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	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50096768 (CHEMBL120238 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc3N(CCc23)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1 |w:38.42| Show InChI InChI=1S/C35H31F3N8O2S/c36-35(37,38)48-27-12-8-24(9-13-27)30-21-49-34(45-30)46-18-15-28-29(4-1-5-31(28)46)44-33(42-22-39)43-26-10-6-23(7-11-26)14-17-41-20-32(47)25-3-2-16-40-19-25/h1-13,16,19,21,32,41,47H,14-15,17-18,20H2,(H2,42,43,44)/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	>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 to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50096762 (CHEMBL338618 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cc(Cl)cc(Cl)c2)=NC#N)cc1)c1cccnc1 |w:21.22| Show InChI InChI=1S/C23H22Cl2N6O/c24-18-10-19(25)12-21(11-18)31-23(29-15-26)30-20-5-3-16(4-6-20)7-9-28-14-22(32)17-2-1-8-27-13-17/h1-6,8,10-13,22,28,32H,7,9,14H2,(H2,29,30,31)/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	n/a	n/a	89	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro efficacy at human beta-3 adrenergic receptor.				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50096761 ((R)-2-(2-{4-[1-(3-Iodo-phenylamino)-2-nitro-vinyla...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(I)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H23IN5O3/c24-19-4-1-5-21(13-19)28-23(16-29(31)32)27-20-8-6-17(7-9-20)10-12-26-15-22(30)18-3-2-11-25-14-18/h1-9,11,13-14,16,22,26,30H,10,12,15H2,(H,27,28)/q-1/p+1	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	22	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro efficacy at human beta-3 adrenergic receptor.				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair

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