Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50033004   

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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337878 ((R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C38H48N4O5/c43-34-19-17-31(32-18-20-36(45)41-37(32)34)35(44)27-39-23-11-4-2-1-3-5-12-24-42-25-21-29(22-26-42)47-38(46)40-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,43-44H,1-5,11-12,21-27H2,(H,40,46)(H,41,45)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50296345 ((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337880 ((R)-1-(9-(2-(3-formamido-4-hydroxyphenyl)-2-hydrox...) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c(NC=O)c1 |r| Show InChI InChI=1S/C36H48N4O5/c41-27-38-33-25-29(17-18-34(33)42)35(43)26-37-21-11-4-2-1-3-5-12-22-40-23-19-30(20-24-40)45-36(44)39-32-16-10-9-15-31(32)28-13-7-6-8-14-28/h6-10,13-18,25,27,30,35,37,42-43H,1-5,11-12,19-24,26H2,(H,38,41)(H,39,44)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337881 ((R)-1-(9-(2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)...) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C36H49N3O5/c40-27-30-25-29(17-18-34(30)41)35(42)26-37-21-11-4-2-1-3-5-12-22-39-23-19-31(20-24-39)44-36(43)38-33-16-10-9-15-32(33)28-13-7-6-8-14-28/h6-10,13-18,25,31,35,37,40-42H,1-5,11-12,19-24,26-27H2,(H,38,43)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337878 ((R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C38H48N4O5/c43-34-19-17-31(32-18-20-36(45)41-37(32)34)35(44)27-39-23-11-4-2-1-3-5-12-24-42-25-21-29(22-26-42)47-38(46)40-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,43-44H,1-5,11-12,21-27H2,(H,40,46)(H,41,45)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337877 ((R)-1-(8-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C37H46N4O5/c42-33-18-16-30(31-17-19-35(44)40-36(31)33)34(43)26-38-22-10-3-1-2-4-11-23-41-24-20-28(21-25-41)46-37(45)39-32-15-9-8-14-29(32)27-12-6-5-7-13-27/h5-9,12-19,28,34,38,42-43H,1-4,10-11,20-26H2,(H,39,45)(H,40,44)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337870 (1-(7-aminoheptyl)piperidin-4-yl biphenyl-2-ylcarba...) Show SMILES NCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C25H35N3O2/c26-17-9-2-1-3-10-18-28-19-15-22(16-20-28)30-25(29)27-24-14-8-7-13-23(24)21-11-5-4-6-12-21/h4-8,11-14,22H,1-3,9-10,15-20,26H2,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337886 ((R)-1-(7-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C36H44N4O5/c41-32-17-15-29(30-16-18-34(43)39-35(30)32)33(42)25-37-21-9-2-1-3-10-22-40-23-19-27(20-24-40)45-36(44)38-31-14-8-7-13-28(31)26-11-5-4-6-12-26/h4-8,11-18,27,33,37,41-42H,1-3,9-10,19-25H2,(H,38,44)(H,39,43)/t33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337872 (1-(9-aminononyl)piperidin-4-yl biphenyl-2-ylcarbam...) Show SMILES NCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H39N3O2/c28-19-11-4-2-1-3-5-12-20-30-21-17-24(18-22-30)32-27(31)29-26-16-10-9-15-25(26)23-13-7-6-8-14-23/h6-10,13-16,24H,1-5,11-12,17-22,28H2,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337873 (1-(10-aminodecyl)piperidin-4-yl biphenyl-2-ylcarba...) Show SMILES NCCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C28H41N3O2/c29-20-12-5-3-1-2-4-6-13-21-31-22-18-25(19-23-31)33-28(32)30-27-17-11-10-16-26(27)24-14-8-7-9-15-24/h7-11,14-17,25H,1-6,12-13,18-23,29H2,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337871 (1-(8-aminooctyl)piperidin-4-yl biphenyl-2-ylcarbam...) Show SMILES NCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C26H37N3O2/c27-18-10-3-1-2-4-11-19-29-20-16-23(17-21-29)31-26(30)28-25-15-9-8-14-24(25)22-12-6-5-7-13-22/h5-9,12-15,23H,1-4,10-11,16-21,27H2,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25771 (1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1 Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337874 (1-(11-aminoundecyl)piperidin-4-yl biphenyl-2-ylcar...) Show SMILES NCCCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C29H43N3O2/c30-21-13-6-4-2-1-3-5-7-14-22-32-23-19-26(20-24-32)34-29(33)31-28-18-12-11-17-27(28)25-15-9-8-10-16-25/h8-12,15-18,26H,1-7,13-14,19-24,30H2,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337875 (1-(12-aminododecyl)piperidin-4-yl biphenyl-2-ylcar...) Show SMILES NCCCCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C30H45N3O2/c31-22-14-7-5-3-1-2-4-6-8-15-23-33-24-20-27(21-25-33)35-30(34)32-29-19-13-12-18-28(29)26-16-10-9-11-17-26/h9-13,16-19,27H,1-8,14-15,20-25,31H2,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337877 ((R)-1-(8-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C37H46N4O5/c42-33-18-16-30(31-17-19-35(44)40-36(31)33)34(43)26-38-22-10-3-1-2-4-11-23-41-24-20-28(21-25-41)46-37(45)39-32-15-9-8-14-29(32)27-12-6-5-7-13-27/h5-9,12-19,28,34,38,42-43H,1-4,10-11,20-26H2,(H,39,45)(H,40,44)/t34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337878 ((R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C38H48N4O5/c43-34-19-17-31(32-18-20-36(45)41-37(32)34)35(44)27-39-23-11-4-2-1-3-5-12-24-42-25-21-29(22-26-42)47-38(46)40-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,43-44H,1-5,11-12,21-27H2,(H,40,46)(H,41,45)/t35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337885 ((1R,2R,4S,5R,7S)-7-(2-Hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:33:32:1:28.29.30,0:1:34.32:28.29.30,THB:35:29:1:34.32,2:1:34.32:28.29.30| Show InChI InChI=1S/C38H47N3O7S2/c1-41(18-8-6-4-2-3-5-7-17-39-23-30(43)25-13-15-29(42)34-26(25)14-16-33(44)40-34)27-21-24(22-28(41)36-35(27)48-36)47-37(45)38(46,31-11-9-19-49-31)32-12-10-20-50-32/h9-16,19-20,24,27-28,30,35-36,39,43,46H,2-8,17-18,21-23H2,1H3,(H-,40,42,44)/p+1/t24-,27-,28-,30+,35-,36+,41?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337859 (1-hexylpiperidin-4-yl biphenyl-2-ylcarbamate | CHE...) Show SMILES CCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C24H32N2O2/c1-2-3-4-10-17-26-18-15-21(16-19-26)28-24(27)25-23-14-9-8-13-22(23)20-11-6-5-7-12-20/h5-9,11-14,21H,2-4,10,15-19H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337860 (1-heptylpiperidin-4-yl biphenyl-2-ylcarbamate | CH...) Show SMILES CCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C25H34N2O2/c1-2-3-4-5-11-18-27-19-16-22(17-20-27)29-25(28)26-24-15-10-9-14-23(24)21-12-7-6-8-13-21/h6-10,12-15,22H,2-5,11,16-20H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337861 (1-octylpiperidin-4-yl biphenyl-2-ylcarbamate | CHE...) Show SMILES CCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C26H36N2O2/c1-2-3-4-5-6-12-19-28-20-17-23(18-21-28)30-26(29)27-25-16-11-10-15-24(25)22-13-8-7-9-14-22/h7-11,13-16,23H,2-6,12,17-21H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337883 (1-(biphenyl-2-yl)-3-(1-(9-(2-hydroxy-2-(8-hydroxy-...) Show SMILES OC(CNCCCCCCCCCN1CCC(CC1)NC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C38H49N5O4/c44-34-19-17-31(32-18-20-36(46)42-37(32)34)35(45)27-39-23-11-4-2-1-3-5-12-24-43-25-21-29(22-26-43)40-38(47)41-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,44-45H,1-5,11-12,21-27H2,(H,42,46)(H2,40,41,47)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337862 (1-nonylpiperidin-4-yl biphenyl-2-ylcarbamate | CHE...) Show SMILES CCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H38N2O2/c1-2-3-4-5-6-7-13-20-29-21-18-24(19-22-29)31-27(30)28-26-17-12-11-16-25(26)23-14-9-8-10-15-23/h8-12,14-17,24H,2-7,13,18-22H2,1H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337886 ((R)-1-(7-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C36H44N4O5/c41-32-17-15-29(30-16-18-34(43)39-35(30)32)33(42)25-37-21-9-2-1-3-10-22-40-23-19-27(20-24-40)45-36(44)38-31-14-8-7-13-28(31)26-11-5-4-6-12-26/h4-8,11-18,27,33,37,41-42H,1-3,9-10,19-25H2,(H,38,44)(H,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	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337878 ((R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C38H48N4O5/c43-34-19-17-31(32-18-20-36(45)41-37(32)34)35(44)27-39-23-11-4-2-1-3-5-12-24-42-25-21-29(22-26-42)47-38(46)40-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,43-44H,1-5,11-12,21-27H2,(H,40,46)(H,41,45)/t35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337858 (1-pentylpiperidin-4-yl biphenyl-2-ylcarbamate | CH...) Show SMILES CCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-2-3-9-16-25-17-14-20(15-18-25)27-23(26)24-22-13-8-7-12-21(22)19-10-5-4-6-11-19/h4-8,10-13,20H,2-3,9,14-18H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337857 (1-butylpiperidin-4-yl biphenyl-2-ylcarbamate | CHE...) Show SMILES CCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C22H28N2O2/c1-2-3-15-24-16-13-19(14-17-24)26-22(25)23-21-12-8-7-11-20(21)18-9-5-4-6-10-18/h4-12,19H,2-3,13-17H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337869 (1-(6-aminohexyl)piperidin-4-yl biphenyl-2-ylcarbam...) Show SMILES NCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C24H33N3O2/c25-16-8-1-2-9-17-27-18-14-21(15-19-27)29-24(28)26-23-13-7-6-12-22(23)20-10-4-3-5-11-20/h3-7,10-13,21H,1-2,8-9,14-19,25H2,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337876 ((R)-1-(3-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C32H36N4O5/c37-28-13-11-25(26-12-14-30(39)35-31(26)28)29(38)21-33-17-6-18-36-19-15-23(16-20-36)41-32(40)34-27-10-5-4-9-24(27)22-7-2-1-3-8-22/h1-5,7-14,23,29,33,37-38H,6,15-21H2,(H,34,40)(H,35,39)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337880 ((R)-1-(9-(2-(3-formamido-4-hydroxyphenyl)-2-hydrox...) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c(NC=O)c1 |r| Show InChI InChI=1S/C36H48N4O5/c41-27-38-33-25-29(17-18-34(33)42)35(43)26-37-21-11-4-2-1-3-5-12-22-40-23-19-30(20-24-40)45-36(44)39-32-16-10-9-15-31(32)28-13-7-6-8-14-28/h6-10,13-18,25,27,30,35,37,42-43H,1-5,11-12,19-24,26H2,(H,38,41)(H,39,44)/t35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337854 (1-methylpiperidin-4-yl biphenyl-2-ylcarbamate | CH...) Show SMILES CN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H22N2O2/c1-21-13-11-16(12-14-21)23-19(22)20-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337863 (1-decylpiperidin-4-yl biphenyl-2-ylcarbamate | CHE...) Show SMILES CCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C28H40N2O2/c1-2-3-4-5-6-7-8-14-21-30-22-19-25(20-23-30)32-28(31)29-27-18-13-12-17-26(27)24-15-10-9-11-16-24/h9-13,15-18,25H,2-8,14,19-23H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337876 ((R)-1-(3-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C32H36N4O5/c37-28-13-11-25(26-12-14-30(39)35-31(26)28)29(38)21-33-17-6-18-36-19-15-23(16-20-36)41-32(40)34-27-10-5-4-9-24(27)22-7-2-1-3-8-22/h1-5,7-14,23,29,33,37-38H,6,15-21H2,(H,34,40)(H,35,39)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337882 (2-((3S)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dih...) Show SMILES NC(=O)C([C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C38H48N4O4/c39-37(46)38(28-14-8-6-9-15-28,29-16-10-7-11-17-29)30-22-25-42(27-30)24-13-5-3-1-2-4-12-23-40-26-34(44)31-18-20-33(43)36-32(31)19-21-35(45)41-36/h6-11,14-21,30,34,40,43-44H,1-5,12-13,22-27H2,(H2,39,46)(H,41,45)/t30-,34?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50151720 (ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337885 ((1R,2R,4S,5R,7S)-7-(2-Hydroxy-2,2-di-thiophen-2-yl...) Show SMILES C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:33:32:1:28.29.30,0:1:34.32:28.29.30,THB:35:29:1:34.32,2:1:34.32:28.29.30| Show InChI InChI=1S/C38H47N3O7S2/c1-41(18-8-6-4-2-3-5-7-17-39-23-30(43)25-13-15-29(42)34-26(25)14-16-33(44)40-34)27-21-24(22-28(41)36-35(27)48-36)47-37(45)38(46,31-11-9-19-49-31)32-12-10-20-50-32/h9-16,19-20,24,27-28,30,35-36,39,43,46H,2-8,17-18,21-23H2,1H3,(H-,40,42,44)/p+1/t24-,27-,28-,30+,35-,36+,41?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337879 (CHEMBL1683908 | piperidin-4-yl biphenyl-2-ylcarbam...) Show SMILES O=C(Nc1ccccc1-c1ccccc1)OC1CCNCC1 Show InChI InChI=1S/C18H20N2O2/c21-18(22-15-10-12-19-13-11-15)20-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15,19H,10-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337864 (1-undecylpiperidin-4-yl biphenyl-2-ylcarbamate | C...) Show SMILES CCCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C29H42N2O2/c1-2-3-4-5-6-7-8-9-15-22-31-23-20-26(21-24-31)33-29(32)30-28-19-14-13-18-27(28)25-16-11-10-12-17-25/h10-14,16-19,26H,2-9,15,20-24H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337865 (1-(2-aminoethyl)piperidin-4-yl biphenyl-2-ylcarbam...) Show SMILES NCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C20H25N3O2/c21-12-15-23-13-10-17(11-14-23)25-20(24)22-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,17H,10-15,21H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337855 (1-ethylpiperidin-4-yl biphenyl-2-ylcarbamate | CHE...) Show SMILES CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C20H24N2O2/c1-2-22-14-12-17(13-15-22)24-20(23)21-19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337882 (2-((3S)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dih...) Show SMILES NC(=O)C([C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C38H48N4O4/c39-37(46)38(28-14-8-6-9-15-28,29-16-10-7-11-17-29)30-22-25-42(27-30)24-13-5-3-1-2-4-12-23-40-26-34(44)31-18-20-33(43)36-32(31)19-21-35(45)41-36/h6-11,14-21,30,34,40,43-44H,1-5,12-13,22-27H2,(H2,39,46)(H,41,45)/t30-,34?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337881 ((R)-1-(9-(2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)...) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C36H49N3O5/c40-27-30-25-29(17-18-34(30)41)35(42)26-37-21-11-4-2-1-3-5-12-22-39-23-19-31(20-24-39)44-36(43)38-33-16-10-9-15-32(33)28-13-7-6-8-14-28/h6-10,13-18,25,31,35,37,40-42H,1-5,11-12,19-24,26-27H2,(H,38,43)/t35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318159 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...) Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337866 (1-(3-aminopropyl)piperidin-4-yl biphenyl-2-ylcarba...) Show SMILES NCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C21H27N3O2/c22-13-6-14-24-15-11-18(12-16-24)26-21(25)23-20-10-5-4-9-19(20)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16,22H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337856 (1-propylpiperidin-4-yl biphenyl-2-ylcarbamate | CH...) Show SMILES CCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C21H26N2O2/c1-2-14-23-15-12-18(13-16-23)25-21(24)22-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337867 (1-(4-aminobutyl)piperidin-4-yl biphenyl-2-ylcarbam...) Show SMILES NCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C22H29N3O2/c23-14-6-7-15-25-16-12-19(13-17-25)27-22(26)24-21-11-5-4-10-20(21)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17,23H2,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337868 (1-(5-aminopentyl)piperidin-4-yl biphenyl-2-ylcarba...) Show SMILES NCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C23H31N3O2/c24-15-7-2-8-16-26-17-13-20(14-18-26)28-23(27)25-22-12-6-5-11-21(22)19-9-3-1-4-10-19/h1,3-6,9-12,20H,2,7-8,13-18,24H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337883 (1-(biphenyl-2-yl)-3-(1-(9-(2-hydroxy-2-(8-hydroxy-...) Show SMILES OC(CNCCCCCCCCCN1CCC(CC1)NC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C38H49N5O4/c44-34-19-17-31(32-18-20-36(46)42-37(32)34)35(45)27-39-23-11-4-2-1-3-5-12-24-43-25-21-29(22-26-43)40-38(47)41-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,44-45H,1-5,11-12,21-27H2,(H,42,46)(H2,40,41,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337884 ((3R)-3-(biphenyl-2-ylcarbamoyloxy)-1-(9-(2-hydroxy...) Show SMILES OC(CNCCCCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C40H50N4O5/c45-35-19-17-32(33-18-20-38(47)43-39(33)35)36(46)27-41-23-11-4-2-1-3-5-12-24-44-25-21-30(22-26-44)37(28-44)49-40(48)42-34-16-10-9-15-31(34)29-13-7-6-8-14-29/h6-10,13-20,30,36-37,41,46H,1-5,11-12,21-28H2,(H2-,42,43,45,47,48)/p+1/t30?,36?,37-,44?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337884 ((3R)-3-(biphenyl-2-ylcarbamoyloxy)-1-(9-(2-hydroxy...) Show SMILES OC(CNCCCCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C40H50N4O5/c45-35-19-17-32(33-18-20-38(47)43-39(33)35)36(46)27-41-23-11-4-2-1-3-5-12-24-44-25-21-30(22-26-44)37(28-44)49-40(48)42-34-16-10-9-15-31(34)29-13-7-6-8-14-29/h6-10,13-20,30,36-37,41,46H,1-5,11-12,21-28H2,(H2-,42,43,45,47,48)/p+1/t30?,36?,37-,44?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50337878 ((R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C38H48N4O5/c43-34-19-17-31(32-18-20-36(45)41-37(32)34)35(44)27-39-23-11-4-2-1-3-5-12-24-42-25-21-29(22-26-42)47-38(46)40-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,43-44H,1-5,11-12,21-27H2,(H,40,46)(H,41,45)/t35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human beta2-adrenoceptor expressed in HEK cells assessed as increase of cAMP level after 10 mins by radioimmuno assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
					More data for this Ligand-Target Pair

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