Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'jaw-tsai' 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 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	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084436 (CHEMBL3426693) Show SMILES Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C40H43N5O6/c1-26-23-27(24-41-25-36(47)31-12-15-35(46)39-32(31)13-16-37(48)44-39)11-14-33(26)42-38(49)19-22-45-20-17-29(18-21-45)51-40(50)43-34-10-6-5-9-30(34)28-7-3-2-4-8-28/h2-16,23,29,36,41,46-47H,17-22,24-25H2,1H3,(H,42,49)(H,43,50)(H,44,48)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084443 (CHEMBL3426687) Show SMILES O[C@@H](CNCc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C39H41N5O6/c45-34-16-14-31(32-15-17-36(47)43-38(32)34)35(46)25-40-24-26-10-12-28(13-11-26)41-37(48)20-23-44-21-18-29(19-22-44)50-39(49)42-33-9-5-4-8-30(33)27-6-2-1-3-7-27/h1-17,29,35,40,45-46H,18-25H2,(H,41,48)(H,42,49)(H,43,47)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084432 (CHEMBL3426697) Show SMILES O[C@@H](CNCCCCCNC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C37H45N5O6/c43-32-15-13-29(30-14-16-35(46)41-36(30)32)33(44)25-38-20-7-2-8-21-39-34(45)19-24-42-22-17-27(18-23-42)48-37(47)40-31-12-6-5-11-28(31)26-9-3-1-4-10-26/h1,3-6,9-16,27,33,38,43-44H,2,7-8,17-25H2,(H,39,45)(H,40,47)(H,41,46)/t33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					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	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084439 (CHEMBL3426691) Show SMILES COc1cc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C40H43N5O7/c1-51-36-23-28(12-11-27(36)24-41-25-35(47)31-13-15-34(46)39-32(31)14-16-37(48)44-39)42-38(49)19-22-45-20-17-29(18-21-45)52-40(50)43-33-10-6-5-9-30(33)26-7-3-2-4-8-26/h2-16,23,29,35,41,46-47H,17-22,24-25H2,1H3,(H,42,49)(H,43,50)(H,44,48)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084424 (CHEMBL3426705) Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C |r| Show InChI InChI=1S/C41H45N5O6/c1-27-24-28(25-42-26-37(48)32-13-16-36(47)40-33(32)14-17-38(49)44-40)12-15-35(27)45(2)39(50)20-23-46-21-18-30(19-22-46)52-41(51)43-34-11-7-6-10-31(34)29-8-4-3-5-9-29/h3-17,24,30,37,42,47-48H,18-23,25-26H2,1-2H3,(H,43,51)(H,44,49)/t37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084442 (CHEMBL3426688) Show SMILES O[C@@H](CNCc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C39H40ClN5O6/c40-31-22-25(23-41-24-35(47)29-11-14-34(46)38-30(29)12-15-36(48)44-38)10-13-33(31)42-37(49)18-21-45-19-16-27(17-20-45)51-39(50)43-32-9-5-4-8-28(32)26-6-2-1-3-7-26/h1-15,22,27,35,41,46-47H,16-21,23-24H2,(H,42,49)(H,43,50)(H,44,48)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084440 (CHEMBL3426690) Show SMILES O[C@@H](CNCc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1Cl)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C39H40ClN5O6/c40-32-22-27(11-10-26(32)23-41-24-35(47)30-12-14-34(46)38-31(30)13-15-36(48)44-38)42-37(49)18-21-45-19-16-28(17-20-45)51-39(50)43-33-9-5-4-8-29(33)25-6-2-1-3-7-25/h1-15,22,28,35,41,46-47H,16-21,23-24H2,(H,42,49)(H,43,50)(H,44,48)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084426 (CHEMBL3426703) Show SMILES COc1cc(N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C41H44ClN5O7/c1-46(34-23-37(53-2)27(22-32(34)42)24-43-25-36(49)30-12-14-35(48)40-31(30)13-15-38(50)45-40)39(51)18-21-47-19-16-28(17-20-47)54-41(52)44-33-11-7-6-10-29(33)26-8-4-3-5-9-26/h3-15,22-23,28,36,43,48-49H,16-21,24-25H2,1-2H3,(H,44,52)(H,45,50)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084431 (CHEMBL3426698) Show SMILES O[C@@H](CNC[C@H]1CC[C@@H](CC1)NC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:5.4,wD:1.0,8.11,(.27,-3.7,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4.01,-6.16,;4.01,-7.7,;5.35,-8.47,;5.35,-10.01,;4.01,-10.78,;2.68,-10.01,;2.68,-8.47,;4.01,-12.32,;5.35,-13.09,;6.42,-12.47,;5.35,-14.63,;6.69,-15.4,;6.69,-16.94,;8.03,-17.71,;8.03,-19.25,;6.69,-20.02,;5.36,-19.25,;5.36,-17.71,;6.69,-21.56,;5.35,-22.33,;4.29,-21.71,;5.35,-23.87,;4.02,-24.64,;2.68,-23.86,;1.35,-24.63,;1.34,-26.17,;2.67,-26.94,;4.01,-26.18,;5.34,-26.95,;6.68,-26.19,;8.01,-26.96,;8,-28.5,;6.66,-29.27,;5.33,-28.49,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;-2.68,-.77,;-1.33,-1.54,;,-.77,)| Show InChI InChI=1S/C39H47N5O6/c45-34-16-14-31(32-15-17-36(47)43-38(32)34)35(46)25-40-24-26-10-12-28(13-11-26)41-37(48)20-23-44-21-18-29(19-22-44)50-39(49)42-33-9-5-4-8-30(33)27-6-2-1-3-7-27/h1-9,14-17,26,28-29,35,40,45-46H,10-13,18-25H2,(H,41,48)(H,42,49)(H,43,47)/t26-,28-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084433 (CHEMBL3426696) Show SMILES COc1cc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C41H45N5O7/c1-26-22-28(24-42-25-36(48)31-12-14-35(47)40-32(31)13-15-38(49)45-40)37(52-2)23-34(26)43-39(50)18-21-46-19-16-29(17-20-46)53-41(51)44-33-11-7-6-10-30(33)27-8-4-3-5-9-27/h3-15,22-23,29,36,42,47-48H,16-21,24-25H2,1-2H3,(H,43,50)(H,44,51)(H,45,49)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084434 (CHEMBL3426695) Show SMILES COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C |r| Show InChI InChI=1S/C41H45N5O7/c1-26-33(15-12-28(40(26)52-2)24-42-25-36(48)31-13-16-35(47)39-32(31)14-17-37(49)45-39)43-38(50)20-23-46-21-18-29(19-22-46)53-41(51)44-34-11-7-6-10-30(34)27-8-4-3-5-9-27/h3-17,29,36,42,47-48H,18-25H2,1-2H3,(H,43,50)(H,44,51)(H,45,49)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084425 (CHEMBL3426704 | US9394275, I-25) Show SMILES COc1cc(ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)N(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C41H45N5O7/c1-45(29-13-12-28(37(24-29)52-2)25-42-26-36(48)32-14-16-35(47)40-33(32)15-17-38(49)44-40)39(50)20-23-46-21-18-30(19-22-46)53-41(51)43-34-11-7-6-10-31(34)27-8-4-3-5-9-27/h3-17,24,30,36,42,47-48H,18-23,25-26H2,1-2H3,(H,43,51)(H,44,49)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084430 (CHEMBL3426699) Show SMILES O[C@@H](CNCc1ccc(cc1)C(=O)NCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C39H41N5O6/c45-34-16-14-31(32-15-17-36(47)43-37(32)34)35(46)25-40-24-26-10-12-28(13-11-26)38(48)41-20-23-44-21-18-29(19-22-44)50-39(49)42-33-9-5-4-8-30(33)27-6-2-1-3-7-27/h1-17,29,35,40,45-46H,18-25H2,(H,41,48)(H,42,49)(H,43,47)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084438 (CHEMBL3426692) Show SMILES COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1Cl |r| Show InChI InChI=1S/C40H42ClN5O7/c1-52-39-26(23-42-24-34(48)29-12-15-33(47)38-30(29)13-16-35(49)45-38)11-14-32(37(39)41)43-36(50)19-22-46-20-17-27(18-21-46)53-40(51)44-31-10-6-5-9-28(31)25-7-3-2-4-8-25/h2-16,27,34,42,47-48H,17-24H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084427 (CHEMBL3426702) Show SMILES CN(CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)C(=O)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C40H43N5O6/c1-44(23-24-45-21-19-30(20-22-45)51-40(50)42-34-10-6-5-9-31(34)28-7-3-2-4-8-28)39(49)29-13-11-27(12-14-29)25-41-26-36(47)32-15-17-35(46)38-33(32)16-18-37(48)43-38/h2-18,30,36,41,46-47H,19-26H2,1H3,(H,42,50)(H,43,48)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084423 (CHEMBL3426706) Show SMILES O[C@@H](CNCCc1cccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C40H43N5O6/c46-35-15-13-32(33-14-16-37(48)44-39(33)35)36(47)26-41-21-17-27-7-6-10-29(25-27)42-38(49)20-24-45-22-18-30(19-23-45)51-40(50)43-34-12-5-4-11-31(34)28-8-2-1-3-9-28/h1-16,25,30,36,41,46-47H,17-24,26H2,(H,42,49)(H,43,50)(H,44,48)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084435 (CHEMBL3426694) Show SMILES Cc1cc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C40H43N5O6/c1-26-23-29(12-11-28(26)24-41-25-36(47)32-13-15-35(46)39-33(32)14-16-37(48)44-39)42-38(49)19-22-45-20-17-30(18-21-45)51-40(50)43-34-10-6-5-9-31(34)27-7-3-2-4-8-27/h2-16,23,30,36,41,46-47H,17-22,24-25H2,1H3,(H,42,49)(H,43,50)(H,44,48)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084441 (CHEMBL3426689) Show SMILES COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C40H43N5O7/c1-51-36-23-26(24-41-25-35(47)30-12-15-34(46)39-31(30)13-16-37(48)44-39)11-14-33(36)42-38(49)19-22-45-20-17-28(18-21-45)52-40(50)43-32-10-6-5-9-29(32)27-7-3-2-4-8-27/h2-16,23,28,35,41,46-47H,17-22,24-25H2,1H3,(H,42,49)(H,43,50)(H,44,48)/t35-/m0/s1	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 Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084421 (CHEMBL3426708) Show SMILES COc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C41H45N5O7/c1-52-37-15-11-29(25-28(37)17-21-42-26-36(48)32-12-14-35(47)40-33(32)13-16-38(49)45-40)43-39(50)20-24-46-22-18-30(19-23-46)53-41(51)44-34-10-6-5-9-31(34)27-7-3-2-4-8-27/h2-16,25,30,36,42,47-48H,17-24,26H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084437 (Batefenterol | GSK961081 | GSK961081A | TD-5959) Show SMILES COc1cc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C40H42ClN5O7/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084428 (CHEMBL3426701) Show SMILES Cc1cc(C(=O)NCCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C41H45N5O6/c1-26-23-34(27(2)22-29(26)24-42-25-37(48)32-12-14-36(47)39-33(32)13-15-38(49)45-39)40(50)43-18-21-46-19-16-30(17-20-46)52-41(51)44-35-11-7-6-10-31(35)28-8-4-3-5-9-28/h3-15,22-23,30,37,42,47-48H,16-21,24-25H2,1-2H3,(H,43,50)(H,44,51)(H,45,49)/t37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490612 (CHEMBL2337603) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(16(14)19)21-17(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,17,20H,9-11H2/t13-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084429 (CHEMBL3426700) Show SMILES COc1cc(ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)NCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C40H43N5O7/c1-51-36-23-27(11-12-28(36)24-41-25-35(47)31-13-15-34(46)38-32(31)14-16-37(48)44-38)39(49)42-19-22-45-20-17-29(18-21-45)52-40(50)43-33-10-6-5-9-30(33)26-7-3-2-4-8-26/h2-16,23,29,35,41,46-47H,17-22,24-25H2,1H3,(H,42,49)(H,43,50)(H,44,48)/t35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490637 (CHEMBL2338049) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490602 (CHEMBL2338047) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)cc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl2FNO/c18-13-8-14(19)17(15(20)9-13)22-16(12-6-7-21-10-12)11-4-2-1-3-5-11/h1-5,8-9,12,16,21H,6-7,10H2/t12-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50084422 (CHEMBL3426707) Show SMILES COc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1NC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C41H45N5O7/c1-52-37-15-11-27(17-21-42-26-36(48)31-12-14-35(47)40-32(31)13-16-38(49)45-40)25-34(37)43-39(50)20-24-46-22-18-29(19-23-46)53-41(51)44-33-10-6-5-9-30(33)28-7-3-2-4-8-28/h2-16,25,29,36,42,47-48H,17-24,26H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490621 (CHEMBL2338048) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490599 (CHEMBL2337596) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-6-8-16(9-7-15)20-17(14-10-11-19-12-14)13-4-2-1-3-5-13/h1-9,14,17,19H,10-12H2/t14-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490625 (CHEMBL2338034) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1F)c1ccccc1 |r| Show InChI InChI=1S/C17H17ClFNO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490592 (CHEMBL2337595) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-7-4-8-16(11-15)20-17(14-9-10-19-12-14)13-5-2-1-3-6-13/h1-8,11,14,17,19H,9-10,12H2/t14-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490600 (CHEMBL2337602) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(16(14)19)21-17(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,17,20H,9-11H2/t13-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490606 (CHEMBL2338039) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1C)c1ccccc1 |r| Show InChI InChI=1S/C18H20ClNO/c1-13-11-16(19)7-8-17(13)21-18(15-9-10-20-12-15)14-5-3-2-4-6-14/h2-8,11,15,18,20H,9-10,12H2,1H3/t15-,18-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490611 (CHEMBL2337604) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490635 (CHEMBL2337593) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490601 (CHEMBL2337592) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490631 (CHEMBL2338050) Show SMILES [H][C@@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490609 (CHEMBL2338032) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)cccc1F)c1ccccc1 |r| Show InChI InChI=1S/C17H17F2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490638 (CHEMBL2338051) Show SMILES [H][C@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490590 (CHEMBL2338053) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)c(F)cc(F)c1F)c1ccccc1 |r| Show InChI InChI=1S/C17H15F4NO/c18-12-8-13(19)15(21)17(14(12)20)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490604 (CHEMBL2338042) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl3NO/c18-13-6-7-14(19)17(15(13)20)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490630 (CHEMBL2338052) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)c(F)cc(F)c1F)c1ccccc1 |r| Show InChI InChI=1S/C17H15F4NO/c18-12-8-13(19)15(21)17(14(12)20)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490633 (CHEMBL2338033) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cc(F)cc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17F2NO/c18-14-8-15(19)10-16(9-14)21-17(13-6-7-20-11-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2/t13-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490620 (CHEMBL2338054) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(C)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C23H23ClN2O/c1-16-13-19(24)14-20(21-9-5-6-11-26-21)22(16)27-23(18-10-12-25-15-18)17-7-3-2-4-8-17/h2-9,11,13-14,18,23,25H,10,12,15H2,1H3/t18-,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490632 (CHEMBL2338045) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)c(F)cc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H15Cl2F2NO/c18-14-12(20)8-13(21)15(19)17(14)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490593 (CHEMBL2338043) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl3NO/c18-13-6-7-14(19)17(15(13)20)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490619 (CHEMBL2338055) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C22H20Cl2N2O/c23-17-12-18(20-8-4-5-10-26-20)22(19(24)13-17)27-21(16-9-11-25-14-16)15-6-2-1-3-7-15/h1-8,10,12-13,16,21,25H,9,11,14H2/t16-,21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490624 (CHEMBL2338035) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17ClFNO/c18-15-10-14(19)6-7-16(15)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490595 (CHEMBL2337605) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)cccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	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]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair

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