Compile Data Set for Download or QSAR

Found 1232 hits with Last Name = 'rath' and Initial = 's'   

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 M1 (Homo sapiens (Human))	BDBM50240552 (CHEMBL195) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M1 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50240552 (CHEMBL195) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50240552 (CHEMBL195) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M5 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50240552 (CHEMBL195) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M2 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328300 (4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...) Show SMILES COCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O Show InChI InChI=1S/C28H32N4O4S/c1-35-15-20-13-23(7-8-25(20)34)36-16-22(33)14-29-21-9-11-32(12-10-21)27-26-24(19-5-3-2-4-6-19)17-37-28(26)31-18-30-27/h2-8,13,17-18,21-22,29,33-34H,9-12,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50518557 (CHEMBL4519301) Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)| Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M5 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50518557 (CHEMBL4519301) Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)| Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M1 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50518557 (CHEMBL4519301) Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)| Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M4 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50518557 (CHEMBL4519301) Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)| Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328294 (1-phenoxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]pyri...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3cccs3)c12)COc1ccccc1 Show InChI InChI=1S/C24H26N4O2S2/c29-18(14-30-19-5-2-1-3-6-19)13-25-17-8-10-28(11-9-17)23-22-20(21-7-4-12-31-21)15-32-24(22)27-16-26-23/h1-7,12,15-18,25,29H,8-11,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328300 (4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...) Show SMILES COCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O Show InChI InChI=1S/C28H32N4O4S/c1-35-15-20-13-23(7-8-25(20)34)36-16-22(33)14-29-21-9-11-32(12-10-21)27-26-24(19-5-3-2-4-6-19)17-37-28(26)31-18-30-27/h2-8,13,17-18,21-22,29,33-34H,9-12,14-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328311 (1-(2-allylphenoxy)-3-(1-(5-phenylthieno[2,3-d]pyri...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1CC=C Show InChI InChI=1S/C29H32N4O2S/c1-2-8-22-11-6-7-12-26(22)35-18-24(34)17-30-23-13-15-33(16-14-23)28-27-25(21-9-4-3-5-10-21)19-36-29(27)32-20-31-28/h2-7,9-12,19-20,23-24,30,34H,1,8,13-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328336 (3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(O)c1 Show InChI InChI=1S/C26H28N4O3S/c31-20-7-4-8-22(13-20)33-15-21(32)14-27-19-9-11-30(12-10-19)25-24-23(18-5-2-1-3-6-18)16-34-26(24)29-17-28-25/h1-8,13,16-17,19,21,27,31-32H,9-12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis				Bioorg Med Chem 25: 5365-5372 (2017) Article DOI: 10.1016/j.bmc.2017.07.059 BindingDB Entry DOI: 10.7270/Q25M6856
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328299 (3-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES CCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-22(33)8-9-25(19)35-16-23(34)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21,23,29,33-34H,2,10-13,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328301 (4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...) Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-22(6-7-24(19)34)35-15-21(33)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20-21,28,32-34H,8-11,13-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50518559 (CHEMBL4585326) Show SMILES COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:11:12:15.16:18.19,(19.07,-20.84,;17.73,-21.62,;16.4,-20.85,;15.06,-21.62,;13.73,-20.85,;13.74,-19.31,;12.4,-18.54,;11.07,-19.31,;9.74,-18.54,;8.4,-19.31,;8.4,-20.85,;7.07,-18.54,;5.74,-19.31,;5.39,-20.74,;3.9,-20.23,;3.89,-18.2,;4.49,-16.94,;4.52,-18.86,;2.82,-19.32,;2.41,-20.75,;9.74,-17,;8.4,-16.23,;8.41,-14.68,;9.73,-13.91,;11.07,-14.68,;11.07,-16.23,;15.06,-18.54,;16.39,-19.3,)| Show InChI InChI=1S/C23H28N2O3/c1-27-21-9-7-18(8-10-21)11-16-25(20-5-3-2-4-6-20)23(26)28-22-17-24-14-12-19(22)13-15-24/h2-10,19,22H,11-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328336 (3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(O)c1 Show InChI InChI=1S/C26H28N4O3S/c31-20-7-4-8-22(13-20)33-15-21(32)14-27-19-9-11-30(12-10-19)25-24-23(18-5-2-1-3-6-18)16-34-26(24)29-17-28-25/h1-8,13,16-17,19,21,27,31-32H,9-12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328298 (2-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES CCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-23(8-9-25(19)34)35-16-22(33)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21-22,29,33-34H,2,10-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328337 (1-phenoxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-y...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1 Show InChI InChI=1S/C26H28N4O2S/c31-21(16-32-22-9-5-2-6-10-22)15-27-20-11-13-30(14-12-20)25-24-23(19-7-3-1-4-8-19)17-33-26(24)29-18-28-25/h1-10,17-18,20-21,27,31H,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328326 (1-(3-ethylphenoxy)-3-(1-(5-phenylthieno[2,3-d]pyri...) Show SMILES CCc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1 Show InChI InChI=1S/C28H32N4O2S/c1-2-20-7-6-10-24(15-20)34-17-23(33)16-29-22-11-13-32(14-12-22)27-26-25(21-8-4-3-5-9-21)18-35-28(26)31-19-30-27/h3-10,15,18-19,22-23,29,33H,2,11-14,16-17H2,1H3	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
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50518559 (CHEMBL4585326) Show SMILES COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:11:12:15.16:18.19,(19.07,-20.84,;17.73,-21.62,;16.4,-20.85,;15.06,-21.62,;13.73,-20.85,;13.74,-19.31,;12.4,-18.54,;11.07,-19.31,;9.74,-18.54,;8.4,-19.31,;8.4,-20.85,;7.07,-18.54,;5.74,-19.31,;5.39,-20.74,;3.9,-20.23,;3.89,-18.2,;4.49,-16.94,;4.52,-18.86,;2.82,-19.32,;2.41,-20.75,;9.74,-17,;8.4,-16.23,;8.41,-14.68,;9.73,-13.91,;11.07,-14.68,;11.07,-16.23,;15.06,-18.54,;16.39,-19.3,)| Show InChI InChI=1S/C23H28N2O3/c1-27-21-9-7-18(8-10-21)11-16-25(20-5-3-2-4-6-20)23(26)28-22-17-24-14-12-19(22)13-15-24/h2-10,19,22H,11-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M5 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328310 (1-(2-isopropylphenoxy)-3-(1-(5-phenylthieno[2,3-d]...) Show SMILES CC(C)c1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C29H34N4O2S/c1-20(2)24-10-6-7-11-26(24)35-17-23(34)16-30-22-12-14-33(15-13-22)28-27-25(21-8-4-3-5-9-21)18-36-29(27)32-19-31-28/h3-11,18-20,22-23,30,34H,12-17H2,1-2H3	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
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50518559 (CHEMBL4585326) Show SMILES COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:11:12:15.16:18.19,(19.07,-20.84,;17.73,-21.62,;16.4,-20.85,;15.06,-21.62,;13.73,-20.85,;13.74,-19.31,;12.4,-18.54,;11.07,-19.31,;9.74,-18.54,;8.4,-19.31,;8.4,-20.85,;7.07,-18.54,;5.74,-19.31,;5.39,-20.74,;3.9,-20.23,;3.89,-18.2,;4.49,-16.94,;4.52,-18.86,;2.82,-19.32,;2.41,-20.75,;9.74,-17,;8.4,-16.23,;8.41,-14.68,;9.73,-13.91,;11.07,-14.68,;11.07,-16.23,;15.06,-18.54,;16.39,-19.3,)| Show InChI InChI=1S/C23H28N2O3/c1-27-21-9-7-18(8-10-21)11-16-25(20-5-3-2-4-6-20)23(26)28-22-17-24-14-12-19(22)13-15-24/h2-10,19,22H,11-17H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M1 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50007677 ((+)-threo 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy...) Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from human NR1-1a/NR2B receptor expressed in Mouse L(tk-) cell membranes incubated for 120 mins by scintillation count...				Bioorg Med Chem 25: 5365-5372 (2017) Article DOI: 10.1016/j.bmc.2017.07.059 BindingDB Entry DOI: 10.7270/Q25M6856
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328298 (2-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES CCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-23(8-9-25(19)34)35-16-22(33)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21-22,29,33-34H,2,10-13,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328334 (1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C27H30N4O3S/c1-33-23-9-5-6-10-24(23)34-16-21(32)15-28-20-11-13-31(14-12-20)26-25-22(19-7-3-2-4-8-19)17-35-27(25)30-18-29-26/h2-10,17-18,20-21,28,32H,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328294 (1-phenoxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]pyri...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3cccs3)c12)COc1ccccc1 Show InChI InChI=1S/C24H26N4O2S2/c29-18(14-30-19-5-2-1-3-6-19)13-25-17-8-10-28(11-9-17)23-22-20(21-7-4-12-31-21)15-32-24(22)27-16-26-23/h1-7,12,15-18,25,29H,8-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328334 (1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C27H30N4O3S/c1-33-23-9-5-6-10-24(23)34-16-21(32)15-28-20-11-13-31(14-12-20)26-25-22(19-7-3-2-4-8-19)17-35-27(25)30-18-29-26/h2-10,17-18,20-21,28,32H,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50518557 (CHEMBL4519301) Show SMILES Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)| Show InChI InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M2 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328282 (1-phenoxy-3-(1-(thieno[3,2-d]pyrimidin-4-yl)piperi...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2ccsc12)COc1ccccc1 Show InChI InChI=1S/C20H24N4O2S/c25-16(13-26-17-4-2-1-3-5-17)12-21-15-6-9-24(10-7-15)20-19-18(8-11-27-19)22-14-23-20/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328331 (1-(2-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1F Show InChI InChI=1S/C26H27FN4O2S/c27-22-8-4-5-9-23(22)33-15-20(32)14-28-19-10-12-31(13-11-19)25-24-21(18-6-2-1-3-7-18)16-34-26(24)30-17-29-25/h1-9,16-17,19-20,28,32H,10-15H2	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
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328301 (4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...) Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-22(6-7-24(19)34)35-15-21(33)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20-21,28,32-34H,8-11,13-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328330 (1-(3-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(F)c1 Show InChI InChI=1S/C26H27FN4O2S/c27-19-7-4-8-22(13-19)33-15-21(32)14-28-20-9-11-31(12-10-20)25-24-23(18-5-2-1-3-6-18)16-34-26(24)30-17-29-25/h1-8,13,16-17,20-21,28,32H,9-12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328337 (1-phenoxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-y...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1 Show InChI InChI=1S/C26H28N4O2S/c31-21(16-32-22-9-5-2-6-10-22)15-27-20-11-13-30(14-12-20)25-24-23(19-7-3-1-4-8-19)17-33-26(24)29-18-28-25/h1-10,17-18,20-21,27,31H,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328328 (1-(3-(hydroxymethyl)phenoxy)-3-(1-(5-phenylthieno[...) Show SMILES OCc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1 Show InChI InChI=1S/C27H30N4O3S/c32-15-19-5-4-8-23(13-19)34-16-22(33)14-28-21-9-11-31(12-10-21)26-25-24(20-6-2-1-3-7-20)17-35-27(25)30-18-29-26/h1-8,13,17-18,21-22,28,32-33H,9-12,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50518567 (CHEMBL4576768) Show SMILES O=C(OCc1ccc2OCOc2c1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:13:14:17.18:20.21,(54.21,-33.97,;54.27,-32.43,;55.63,-31.71,;56.93,-32.53,;58.29,-31.81,;58.34,-30.28,;59.7,-29.55,;61.01,-30.37,;62.49,-29.95,;63.35,-31.22,;62.41,-32.43,;60.96,-31.91,;59.6,-32.63,;52.96,-31.61,;51.6,-32.34,;51.25,-33.77,;49.76,-33.26,;49.75,-31.23,;50.35,-29.97,;50.38,-31.89,;48.68,-32.34,;48.28,-33.78,;53.02,-30.07,;54.38,-29.36,;54.44,-27.82,;53.13,-27,;51.76,-27.73,;51.71,-29.27,)| Show InChI InChI=1S/C22H24N2O4/c25-22(26-14-16-6-7-20-21(12-16)28-15-27-20)24(18-4-2-1-3-5-18)19-13-23-10-8-17(19)9-11-23/h1-7,12,17,19H,8-11,13-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328296 (1-(1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-y...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12)COc1ccccc1 Show InChI InChI=1S/C26H27FN4O2S/c27-19-8-6-18(7-9-19)23-16-34-26-24(23)25(29-17-30-26)31-12-10-20(11-13-31)28-14-21(32)15-33-22-4-2-1-3-5-22/h1-9,16-17,20-21,28,32H,10-15H2	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
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50518570 (CHEMBL4462631) Show SMILES Cc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:9:10:13.14:16.17,(39.78,-53.75,;38.42,-54.48,;38.36,-56.02,;37,-56.74,;35.7,-55.91,;34.34,-56.63,;33.03,-55.81,;31.67,-56.54,;31.62,-58.07,;30.37,-55.72,;29.01,-56.44,;28.66,-57.87,;27.17,-57.37,;27.16,-55.34,;27.76,-54.07,;27.79,-55.99,;26.09,-56.45,;25.68,-57.88,;30.42,-54.18,;31.78,-53.46,;31.84,-51.93,;30.53,-51.11,;29.17,-51.84,;29.12,-53.37,;35.75,-54.38,;37.1,-53.66,;37.15,-52.12,)| Show InChI InChI=1S/C22H25FN2O2/c1-16-7-8-17(13-20(16)23)15-27-22(26)25(19-5-3-2-4-6-19)21-14-24-11-9-18(21)10-12-24/h2-8,13,18,21H,9-12,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328292 (4-(2-hydroxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]p...) Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4cccs4)c23)ccc1O Show InChI InChI=1S/C25H28N4O4S2/c30-12-16-10-19(3-4-21(16)32)33-13-18(31)11-26-17-5-7-29(8-6-17)24-23-20(22-2-1-9-34-22)14-35-25(23)28-15-27-24/h1-4,9-10,14-15,17-18,26,30-32H,5-8,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328296 (1-(1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-y...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12)COc1ccccc1 Show InChI InChI=1S/C26H27FN4O2S/c27-19-8-6-18(7-9-19)23-16-34-26-24(23)25(29-17-30-26)31-12-10-20(11-13-31)28-14-21(32)15-33-22-4-2-1-3-5-22/h1-9,16-17,20-21,28,32H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328302 (4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...) Show SMILES OCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-21(33)6-7-24(19)35-15-22(34)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20,22,28,32-34H,8-11,13-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328331 (1-(2-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1F Show InChI InChI=1S/C26H27FN4O2S/c27-22-8-4-5-9-23(22)33-15-20(32)14-28-19-10-12-31(13-11-19)25-24-21(18-6-2-1-3-7-18)16-34-26(24)30-17-29-25/h1-9,16-17,19-20,28,32H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50518559 (CHEMBL4585326) Show SMILES COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:11:12:15.16:18.19,(19.07,-20.84,;17.73,-21.62,;16.4,-20.85,;15.06,-21.62,;13.73,-20.85,;13.74,-19.31,;12.4,-18.54,;11.07,-19.31,;9.74,-18.54,;8.4,-19.31,;8.4,-20.85,;7.07,-18.54,;5.74,-19.31,;5.39,-20.74,;3.9,-20.23,;3.89,-18.2,;4.49,-16.94,;4.52,-18.86,;2.82,-19.32,;2.41,-20.75,;9.74,-17,;8.4,-16.23,;8.41,-14.68,;9.73,-13.91,;11.07,-14.68,;11.07,-16.23,;15.06,-18.54,;16.39,-19.3,)| Show InChI InChI=1S/C23H28N2O3/c1-27-21-9-7-18(8-10-21)11-16-25(20-5-3-2-4-6-20)23(26)28-22-17-24-14-12-19(22)13-15-24/h2-10,19,22H,11-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M4 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328293 (4-(2-hydroxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]p...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3cccs3)c12)COc1ccc(O)cc1 Show InChI InChI=1S/C24H26N4O3S2/c29-17-3-5-19(6-4-17)31-13-18(30)12-25-16-7-9-28(10-8-16)23-22-20(21-2-1-11-32-21)14-33-24(22)27-15-26-23/h1-6,11,14-16,18,25,29-30H,7-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328299 (3-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES CCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-22(33)8-9-25(19)35-16-23(34)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21,23,29,33-34H,2,10-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50518570 (CHEMBL4462631) Show SMILES Cc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:9:10:13.14:16.17,(39.78,-53.75,;38.42,-54.48,;38.36,-56.02,;37,-56.74,;35.7,-55.91,;34.34,-56.63,;33.03,-55.81,;31.67,-56.54,;31.62,-58.07,;30.37,-55.72,;29.01,-56.44,;28.66,-57.87,;27.17,-57.37,;27.16,-55.34,;27.76,-54.07,;27.79,-55.99,;26.09,-56.45,;25.68,-57.88,;30.42,-54.18,;31.78,-53.46,;31.84,-51.93,;30.53,-51.11,;29.17,-51.84,;29.12,-53.37,;35.75,-54.38,;37.1,-53.66,;37.15,-52.12,)| Show InChI InChI=1S/C22H25FN2O2/c1-16-7-8-17(13-20(16)23)15-27-22(26)25(19-5-3-2-4-6-19)21-14-24-11-9-18(21)10-12-24/h2-8,13,18,21H,9-12,14-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M5 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50518567 (CHEMBL4576768) Show SMILES O=C(OCc1ccc2OCOc2c1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:13:14:17.18:20.21,(54.21,-33.97,;54.27,-32.43,;55.63,-31.71,;56.93,-32.53,;58.29,-31.81,;58.34,-30.28,;59.7,-29.55,;61.01,-30.37,;62.49,-29.95,;63.35,-31.22,;62.41,-32.43,;60.96,-31.91,;59.6,-32.63,;52.96,-31.61,;51.6,-32.34,;51.25,-33.77,;49.76,-33.26,;49.75,-31.23,;50.35,-29.97,;50.38,-31.89,;48.68,-32.34,;48.28,-33.78,;53.02,-30.07,;54.38,-29.36,;54.44,-27.82,;53.13,-27,;51.76,-27.73,;51.71,-29.27,)| Show InChI InChI=1S/C22H24N2O4/c25-22(26-14-16-6-7-20-21(12-16)28-15-27-20)24(18-4-2-1-3-5-18)19-13-23-10-8-17(19)9-11-23/h1-7,12,17,19H,8-11,13-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M1 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328330 (1-(3-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(F)c1 Show InChI InChI=1S/C26H27FN4O2S/c27-19-7-4-8-22(13-19)33-15-21(32)14-28-20-9-11-31(12-10-20)25-24-23(18-5-2-1-3-6-18)16-34-26(24)30-17-29-25/h1-8,13,16-17,20-21,28,32H,9-12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50518570 (CHEMBL4462631) Show SMILES Cc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:9:10:13.14:16.17,(39.78,-53.75,;38.42,-54.48,;38.36,-56.02,;37,-56.74,;35.7,-55.91,;34.34,-56.63,;33.03,-55.81,;31.67,-56.54,;31.62,-58.07,;30.37,-55.72,;29.01,-56.44,;28.66,-57.87,;27.17,-57.37,;27.16,-55.34,;27.76,-54.07,;27.79,-55.99,;26.09,-56.45,;25.68,-57.88,;30.42,-54.18,;31.78,-53.46,;31.84,-51.93,;30.53,-51.11,;29.17,-51.84,;29.12,-53.37,;35.75,-54.38,;37.1,-53.66,;37.15,-52.12,)| Show InChI InChI=1S/C22H25FN2O2/c1-16-7-8-17(13-20(16)23)15-27-22(26)25(19-5-3-2-4-6-19)21-14-24-11-9-18(21)10-12-24/h2-8,13,18,21H,9-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M2 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method				Bioorg Med Chem Lett 29: 471-476 (2019) Article DOI: 10.1016/j.bmcl.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27SC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1232 total )  |  Next  |  Last  >>

Jump to: