Compile Data Set for Download or QSAR

Found 219 hits Enz. Inhib. hit(s) with all data for entry = 50041965   

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))	BDBM50419668 (CHEMBL1947157) Show SMILES O[C@@H](CNCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-5-2-6-21(28)18(20)10-12-29-14-17-4-1-3-16(13-17)9-11-30-15-23(33)19-7-8-22(32)24-25(19)35-26(34)31-24/h1-8,13,23,29-30,32-33H,9-12,14-15H2,(H,31,34)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419678 (CHEMBL1945036) Show SMILES CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r| Show InChI InChI=1S/C27H31N3O3S/c1-18(21-5-3-2-4-6-21)15-29-16-20-9-7-19(8-10-20)13-14-28-17-24(32)22-11-12-23(31)25-26(22)34-27(33)30-25/h2-12,18,24,28-29,31-32H,13-17H2,1H3,(H,30,33)/t18?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419702 (CHEMBL1945038) Show SMILES O[C@@H](CNCCc1cccc(CNCCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H30N4O3S/c31-22-10-9-21(25-24(22)30-26(33)34-25)23(32)17-28-14-11-18-5-3-6-19(15-18)16-27-12-4-8-20-7-1-2-13-29-20/h1-3,5-7,9-10,13,15,23,27-28,31-32H,4,8,11-12,14,16-17H2,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419670 (CHEMBL1944691) Show SMILES O[C@@H](CNCCc1cccc(CNCCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28FN3O3S/c27-21-7-2-1-6-19(21)11-13-28-15-18-5-3-4-17(14-18)10-12-29-16-23(32)20-8-9-22(31)24-25(20)34-26(33)30-24/h1-9,14,23,28-29,31-32H,10-13,15-16H2,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419710 (CHEMBL1946768) Show SMILES Oc1ccc(CCNCCc2cccc(CNCCc3c(Cl)cccc3Cl)c2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C26H27Cl2N3O2S/c27-21-5-2-6-22(28)20(21)11-14-30-16-18-4-1-3-17(15-18)9-12-29-13-10-19-7-8-23(32)24-25(19)34-26(33)31-24/h1-8,15,29-30,32H,9-14,16H2,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419669 (CHEMBL1944690) Show SMILES O[C@@H](CNCCc1cccc(CNCCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28ClN3O3S/c27-21-7-2-1-6-19(21)11-13-28-15-18-5-3-4-17(14-18)10-12-29-16-23(32)20-8-9-22(31)24-25(20)34-26(33)30-24/h1-9,14,23,28-29,31-32H,10-13,15-16H2,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419674 (CHEMBL1945031) Show SMILES Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 |r| Show InChI InChI=1S/C29H32N4O3S/c1-18-4-2-7-22-21(16-32-26(18)22)11-13-30-15-20-6-3-5-19(14-20)10-12-31-17-25(35)23-8-9-24(34)27-28(23)37-29(36)33-27/h2-9,14,16,25,30-32,34-35H,10-13,15,17H2,1H3,(H,33,36)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419671 (CHEMBL1944693) Show SMILES COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-34-24-8-3-2-7-20(24)12-14-28-16-19-6-4-5-18(15-19)11-13-29-17-23(32)21-9-10-22(31)25-26(21)35-27(33)30-25/h2-10,15,23,28-29,31-32H,11-14,16-17H2,1H3,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419679 (CHEMBL1945037) Show SMILES O[C@@H](CNCCc1cccc(CNCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C27H31N3O3S/c31-23-12-11-22(26-25(23)30-27(33)34-26)24(32)18-29-15-13-20-8-4-9-21(16-20)17-28-14-5-10-19-6-2-1-3-7-19/h1-4,6-9,11-12,16,24,28-29,31-32H,5,10,13-15,17-18H2,(H,30,33)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419687 (CHEMBL1947151) Show SMILES C[C@@H](NCc1ccccc1-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r| Show InChI InChI=1S/C32H33N3O2S/c1-22(24-7-3-2-4-8-24)34-21-27-9-5-6-10-28(27)25-13-11-23(12-14-25)17-19-33-20-18-26-15-16-29(36)30-31(26)38-32(37)35-30/h2-16,22,33-34,36H,17-21H2,1H3,(H,35,37)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419703 (CHEMBL1945042) Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H26FN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419665 (CHEMBL1945299) Show SMILES COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-34-24-8-3-2-7-20(24)16-28-13-11-18-5-4-6-19(15-18)12-14-29-17-23(32)21-9-10-22(31)25-26(21)35-27(33)30-25/h2-10,15,23,28-29,31-32H,11-14,16-17H2,1H3,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419701 (CHEMBL1944692) Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2F)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28FN3O3S/c27-21-4-2-1-3-19(21)12-14-28-15-18-7-5-17(6-8-18)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419673 (CHEMBL1944695) Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H29N3O3S/c30-22-11-10-21(25-24(22)29-26(32)33-25)23(31)17-28-15-13-19-6-8-20(9-7-19)16-27-14-12-18-4-2-1-3-5-18/h1-11,23,27-28,30-31H,12-17H2,(H,29,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419682 (CHEMBL1945041) Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H26ClN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419672 (CHEMBL1944694) Show SMILES COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-34-24-5-3-2-4-20(24)13-15-28-16-19-8-6-18(7-9-19)12-14-29-17-23(32)21-10-11-22(31)25-26(21)35-27(33)30-25/h2-11,23,28-29,31-32H,12-17H2,1H3,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419677 (CHEMBL1945035) Show SMILES O[C@@H](CNCCc1ccccc1CNCCc1ccccc1F)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28FN3O3S/c27-21-8-4-3-6-18(21)12-14-28-15-19-7-2-1-5-17(19)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419698 (CHEMBL1947155) Show SMILES C[C@@H](NCc1ccccc1-c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r| Show InChI InChI=1S/C32H33N3O3S/c1-21(23-7-3-2-4-8-23)34-19-25-9-5-6-10-26(25)24-13-11-22(12-14-24)17-18-33-20-29(37)27-15-16-28(36)30-31(27)39-32(38)35-30/h2-16,21,29,33-34,36-37H,17-20H2,1H3,(H,35,38)/t21-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419675 (CHEMBL1945032) Show SMILES Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 |r| Show InChI InChI=1S/C29H32N4O3S/c1-18-3-2-4-22-21(16-32-26(18)22)12-14-30-15-20-7-5-19(6-8-20)11-13-31-17-25(35)23-9-10-24(34)27-28(23)37-29(36)33-27/h2-10,16,25,30-32,34-35H,11-15,17H2,1H3,(H,33,36)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419689 (CHEMBL1945033) Show SMILES O[C@@H](CNCCc1cccc(CNCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H28N4O3S/c30-21-8-7-20(24-23(21)29-25(32)33-24)22(31)16-27-12-9-17-4-3-5-18(14-17)15-26-13-10-19-6-1-2-11-28-19/h1-8,11,14,22,26-27,30-31H,9-10,12-13,15-16H2,(H,29,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419676 (CHEMBL1945034) Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccn2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H28N4O3S/c30-21-9-8-20(24-23(21)29-25(32)33-24)22(31)16-27-13-10-17-4-6-18(7-5-17)15-26-14-11-19-3-1-2-12-28-19/h1-9,12,22,26-27,30-31H,10-11,13-16H2,(H,29,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419696 (CHEMBL1947153) Show SMILES O[C@@H](CNCCc1cccc(CN2CCC(CC2)c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C29H33N3O3S/c33-25-10-9-24(28-27(25)31-29(35)36-28)26(34)18-30-14-11-20-5-4-6-21(17-20)19-32-15-12-23(13-16-32)22-7-2-1-3-8-22/h1-10,17,23,26,30,33-34H,11-16,18-19H2,(H,31,35)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419700 (CHEMBL1944689) Show SMILES O[C@@H](CNCCc1ccc(CNCCc2c(Cl)cccc2Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-2-1-3-21(28)18(20)11-13-29-14-17-6-4-16(5-7-17)10-12-30-15-23(33)19-8-9-22(32)24-25(19)35-26(34)31-24/h1-9,23,29-30,32-33H,10-15H2,(H,31,34)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419662 (CHEMBL1945294) Show SMILES O[C@@H](CNCCc1cccc(CN2CCCC2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H27N3O3S/c26-18-7-6-17(21-20(18)24-22(28)29-21)19(27)13-23-9-8-15-4-3-5-16(12-15)14-25-10-1-2-11-25/h3-7,12,19,23,26-27H,1-2,8-11,13-14H2,(H,24,28)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419704 (CHEMBL1945289) Show SMILES COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 |r| Show InChI InChI=1S/C26H29N3O4S/c1-33-20-7-5-18(6-8-20)14-28-15-19-4-2-3-17(13-19)11-12-27-16-23(31)21-9-10-22(30)24-25(21)34-26(32)29-24/h2-10,13,23,27-28,30-31H,11-12,14-16H2,1H3,(H,29,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419680 (CHEMBL1945039) Show SMILES COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C26H29N3O4S/c1-33-23-8-3-2-7-19(23)15-28-14-18-6-4-5-17(13-18)11-12-27-16-22(31)20-9-10-21(30)24-25(20)34-26(32)29-24/h2-10,13,22,27-28,30-31H,11-12,14-16H2,1H3,(H,29,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419703 (CHEMBL1945042) Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H26FN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419706 (CHEMBL1945296) Show SMILES O[C@@H](CNCCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C27H29Cl2N3O3S/c28-21-7-2-8-22(29)19(21)11-13-31-15-18-5-1-4-17(14-18)6-3-12-30-16-24(34)20-9-10-23(33)25-26(20)36-27(35)32-25/h1-2,4-5,7-10,14,24,30-31,33-34H,3,6,11-13,15-16H2,(H,32,35)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419684 (CHEMBL1945044) Show SMILES COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 |r| Show InChI InChI=1S/C26H29N3O4S/c1-33-20-7-3-6-19(13-20)15-28-14-18-5-2-4-17(12-18)10-11-27-16-23(31)21-8-9-22(30)24-25(21)34-26(32)29-24/h2-9,12-13,23,27-28,30-31H,10-11,14-16H2,1H3,(H,29,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419706 (CHEMBL1945296) Show SMILES O[C@@H](CNCCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C27H29Cl2N3O3S/c28-21-7-2-8-22(29)19(21)11-13-31-15-18-5-1-4-17(14-18)6-3-12-30-16-24(34)20-9-10-23(33)25-26(20)36-27(35)32-25/h1-2,4-5,7-10,14,24,30-31,33-34H,3,6,11-13,15-16H2,(H,32,35)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419664 (CHEMBL1945298) Show SMILES O[C@@H](CNCCOc1cccc(CNCCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28FN3O4S/c27-21-7-2-1-5-18(21)10-11-28-15-17-4-3-6-19(14-17)34-13-12-29-16-23(32)20-8-9-22(31)24-25(20)35-26(33)30-24/h1-9,14,23,28-29,31-32H,10-13,15-16H2,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50419672 (CHEMBL1944694) Show SMILES COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-34-24-5-3-2-4-20(24)13-15-28-16-19-8-6-18(7-9-19)12-14-29-17-23(32)21-10-11-22(31)25-26(21)35-27(33)30-25/h2-11,23,28-29,31-32H,12-17H2,1H3,(H,30,33)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419682 (CHEMBL1945041) Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H26ClN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419699 (CHEMBL1947156) Show SMILES O[C@@H](CNCCc1cccc(c1)-c1cccc(CNCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C31H31N3O3S/c35-27-13-12-26(30-29(27)34-31(37)38-30)28(36)20-32-15-14-21-8-4-10-24(16-21)25-11-5-9-23(17-25)19-33-18-22-6-2-1-3-7-22/h1-13,16-17,28,32-33,35-36H,14-15,18-20H2,(H,34,37)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419704 (CHEMBL1945289) Show SMILES COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 |r| Show InChI InChI=1S/C26H29N3O4S/c1-33-20-7-5-18(6-8-20)14-28-15-19-4-2-3-17(13-19)11-12-27-16-23(31)21-9-10-22(30)24-25(21)34-26(32)29-24/h2-10,13,23,27-28,30-31H,11-12,14-16H2,1H3,(H,29,32)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419694 (CHEMBL1946765) Show SMILES Oc1ccc(CCNCCc2cccc(CN[C@H]3C[C@@H]3c3ccccc3)c2)c2sc(=O)[nH]c12 |r| Show InChI InChI=1S/C27H29N3O2S/c31-24-10-9-21(26-25(24)30-27(32)33-26)12-14-28-13-11-18-5-4-6-19(15-18)17-29-23-16-22(23)20-7-2-1-3-8-20/h1-10,15,22-23,28-29,31H,11-14,16-17H2,(H,30,32)/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50419673 (CHEMBL1944695) Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H29N3O3S/c30-22-11-10-21(25-24(22)29-26(32)33-25)23(31)17-28-15-13-19-6-8-20(9-7-19)16-27-14-12-18-4-2-1-3-5-18/h1-11,23,27-28,30-31H,12-17H2,(H,29,32)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419668 (CHEMBL1947157) Show SMILES O[C@@H](CNCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-5-2-6-21(28)18(20)10-12-29-14-17-4-1-3-16(13-17)9-11-30-15-23(33)19-7-8-22(32)24-25(19)35-26(34)31-24/h1-8,13,23,29-30,32-33H,9-12,14-15H2,(H,31,34)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419677 (CHEMBL1945035) Show SMILES O[C@@H](CNCCc1ccccc1CNCCc1ccccc1F)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28FN3O3S/c27-21-8-4-3-6-18(21)12-14-28-15-19-7-2-1-5-17(19)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419708 (CHEMBL1947150) Show SMILES Oc1ccc(CCNCCc2ccc(cc2)-c2cccc(CN3Cc4ccccc4C3)c2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C32H31N3O2S/c36-29-13-12-25(31-30(29)34-32(37)38-31)15-17-33-16-14-22-8-10-24(11-9-22)26-7-3-4-23(18-26)19-35-20-27-5-1-2-6-28(27)21-35/h1-13,18,33,36H,14-17,19-21H2,(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419683 (CHEMBL1945043) Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C24H26N4O3S/c29-20-8-7-19(23-22(20)28-24(31)32-23)21(30)15-25-11-9-16-4-3-5-17(12-16)13-26-14-18-6-1-2-10-27-18/h1-8,10,12,21,25-26,29-30H,9,11,13-15H2,(H,28,31)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419663 (CHEMBL1945297) Show SMILES CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C27H29Cl2N3O3S/c1-16(31-15-24(34)20-8-9-23(33)25-26(20)36-27(35)32-25)12-17-4-2-5-18(13-17)14-30-11-10-19-21(28)6-3-7-22(19)29/h2-9,13,16,24,30-31,33-34H,10-12,14-15H2,1H3,(H,32,35)/t16?,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419679 (CHEMBL1945037) Show SMILES O[C@@H](CNCCc1cccc(CNCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C27H31N3O3S/c31-23-12-11-22(26-25(23)30-27(33)34-26)24(32)18-29-15-13-20-8-4-9-21(16-20)17-28-14-5-10-19-6-2-1-3-7-19/h1-4,6-9,11-12,16,24,28-29,31-32H,5,10,13-15,17-18H2,(H,30,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419685 (CHEMBL1945290) Show SMILES CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-2-34-24-9-4-3-8-20(24)16-29-15-19-7-5-6-18(14-19)12-13-28-17-23(32)21-10-11-22(31)25-26(21)35-27(33)30-25/h3-11,14,23,28-29,31-32H,2,12-13,15-17H2,1H3,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419659 (CHEMBL1945291) Show SMILES COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-30(17-20-8-3-4-9-24(20)34-2)16-19-7-5-6-18(14-19)12-13-28-15-23(32)21-10-11-22(31)25-26(21)35-27(33)29-25/h3-11,14,23,28,31-32H,12-13,15-17H2,1-2H3,(H,29,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50419665 (CHEMBL1945299) Show SMILES COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-34-24-8-3-2-7-20(24)16-28-13-11-18-5-4-6-19(15-18)12-14-29-17-23(32)21-9-10-22(31)25-26(21)35-27(33)30-25/h2-10,15,23,28-29,31-32H,11-14,16-17H2,1H3,(H,30,33)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50419676 (CHEMBL1945034) Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccn2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H28N4O3S/c30-21-9-8-20(24-23(21)29-25(32)33-24)22(31)16-27-13-10-17-4-6-18(7-5-17)15-26-14-11-19-3-1-2-12-28-19/h1-9,12,22,26-27,30-31H,10-11,13-16H2,(H,29,32)/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419660 (CHEMBL1945292) Show SMILES COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H27N3O4S/c1-28-10-9-23-12-15-4-2-3-14(11-15)7-8-22-13-18(26)16-5-6-17(25)19-20(16)29-21(27)24-19/h2-6,11,18,22-23,25-26H,7-10,12-13H2,1H3,(H,24,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50419664 (CHEMBL1945298) Show SMILES O[C@@H](CNCCOc1cccc(CNCCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28FN3O4S/c27-21-7-2-1-5-18(21)10-11-28-15-17-4-3-6-19(14-17)34-13-12-29-16-23(32)20-8-9-22(31)24-25(20)35-26(33)30-24/h1-9,14,23,28-29,31-32H,10-13,15-16H2,(H,30,33)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419688 (CHEMBL1947152) Show SMILES Oc1ccc(CCNCCc2cccc(c2)-c2cccc(CNCc3ccccc3)c2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C31H31N3O2S/c35-28-13-12-25(30-29(28)34-31(36)37-30)15-17-32-16-14-22-8-4-10-26(18-22)27-11-5-9-24(19-27)21-33-20-23-6-2-1-3-7-23/h1-13,18-19,32-33,35H,14-17,20-21H2,(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair

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