Compile Data Set for Download or QSAR

Found 3126 hits with Last Name = 'nag' 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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50007522 (5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC |r| Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institutet Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor (unknown origin)				Bioorg Med Chem 16: 6467-73 (2008) Article DOI: 10.1016/j.bmc.2008.05.039 BindingDB Entry DOI: 10.7270/Q2QN66JM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021919 (CHEMBL3298595) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1 Show InChI InChI=1S/C19H22N2O2S.HI/c1-21-11-8-19(9-12-21,10-13-21)23-18(22)20-16-7-14-24-17(16)15-5-3-2-4-6-15;/h2-7,14H,8-13H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021919 (CHEMBL3298595) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1 Show InChI InChI=1S/C19H22N2O2S.HI/c1-21-11-8-19(9-12-21,10-13-21)23-18(22)20-16-7-14-24-17(16)15-5-3-2-4-6-15;/h2-7,14H,8-13H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50021919 (CHEMBL3298595) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1 Show InChI InChI=1S/C19H22N2O2S.HI/c1-21-11-8-19(9-12-21,10-13-21)23-18(22)20-16-7-14-24-17(16)15-5-3-2-4-6-15;/h2-7,14H,8-13H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021928 (CHEMBL3298599) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-8-5-18(6-9-22,7-10-22)24-17(23)21-16-15(25-12-20-16)13-3-2-4-14(19)11-13;/h2-4,11-12H,5-10H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021928 (CHEMBL3298599) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-8-5-18(6-9-22,7-10-22)24-17(23)21-16-15(25-12-20-16)13-3-2-4-14(19)11-13;/h2-4,11-12H,5-10H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50021928 (CHEMBL3298599) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-8-5-18(6-9-22,7-10-22)24-17(23)21-16-15(25-12-20-16)13-3-2-4-14(19)11-13;/h2-4,11-12H,5-10H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021922 (CHEMBL3298596) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1 Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-10-7-18(8-11-21,9-12-21)23-17(22)20-16-15(24-13-19-16)14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021904 (CHEMBL3298588) Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-15-6-13-23-16(15)14-4-2-1-3-5-14;/h1-6,13H,7-12H2,(H,19,21);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021922 (CHEMBL3298596) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1 Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-10-7-18(8-11-21,9-12-21)23-17(22)20-16-15(24-13-19-16)14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021935 (CHEMBL3298600) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H20FN3O2S.HI/c1-22-9-6-18(7-10-22,8-11-22)24-17(23)21-16-15(25-12-20-16)13-2-4-14(19)5-3-13;/h2-5,12H,6-11H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021904 (CHEMBL3298588) Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-15-6-13-23-16(15)14-4-2-1-3-5-14;/h1-6,13H,7-12H2,(H,19,21);1H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123504 (CHEMBL142546 | N-((6-amino-2-methylpyridin-3-yl)me...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C22H24F2N6O2/c1-14-10-27-20(28-13-22(23,24)17-6-4-3-5-7-17)21(32)30(14)12-19(31)26-11-16-8-9-18(25)29-15(16)2/h3-10H,11-13H2,1-2H3,(H2,25,29)(H,26,31)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021935 (CHEMBL3298600) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H20FN3O2S.HI/c1-22-9-6-18(7-10-22,8-11-22)24-17(23)21-16-15(25-12-20-16)13-2-4-14(19)5-3-13;/h2-5,12H,6-11H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021938 (CHEMBL3298763) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021893 (CHEMBL3298333) Show SMILES O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C18H20N2O2S/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-16-15(6-13-23-16)14-4-2-1-3-5-14/h1-6,13H,7-12H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021938 (CHEMBL3298763) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50021922 (CHEMBL3298596) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1 Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-10-7-18(8-11-21,9-12-21)23-17(22)20-16-15(24-13-19-16)14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50344285 (CHEMBL1779047 | quinuclidin-4-yl biphenyl-2-ylcarb...) Show SMILES O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C20H22N2O2/c23-19(24-20-10-13-22(14-11-20)15-12-20)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021892 (Ipratropium Bromide) Show SMILES [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |TLB:10:8:22:4.3,23:22:8.7.9:4.3,THB:24:22:8.7.9:4.3| Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?;	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021905 (CHEMBL3298589) Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(41.69,-11.32,;44.26,-6.71,;42.92,-7.48,;41.59,-6.7,;41.6,-5.16,;42.84,-4.27,;42.37,-2.81,;40.83,-2.8,;40.35,-4.27,;38.89,-4.74,;37.74,-3.7,;36.28,-4.18,;35.96,-5.69,;37.11,-6.72,;38.57,-6.24,;42.92,-9.02,;44.25,-9.79,;44.25,-11.32,;45.58,-12.1,;46.92,-11.33,;46.92,-9.78,;45.61,-9.01,;44.85,-10.35,;46.34,-10.75,)| Show InChI InChI=1S/C18H20N2O2S.ClH/c21-18(22-16-12-20-9-6-13(16)7-10-20)19-15-8-11-23-17(15)14-4-2-1-3-5-14;/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,19,21);1H/t16-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021905 (CHEMBL3298589) Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(41.69,-11.32,;44.26,-6.71,;42.92,-7.48,;41.59,-6.7,;41.6,-5.16,;42.84,-4.27,;42.37,-2.81,;40.83,-2.8,;40.35,-4.27,;38.89,-4.74,;37.74,-3.7,;36.28,-4.18,;35.96,-5.69,;37.11,-6.72,;38.57,-6.24,;42.92,-9.02,;44.25,-9.79,;44.25,-11.32,;45.58,-12.1,;46.92,-11.33,;46.92,-9.78,;45.61,-9.01,;44.85,-10.35,;46.34,-10.75,)| Show InChI InChI=1S/C18H20N2O2S.ClH/c21-18(22-16-12-20-9-6-13(16)7-10-20)19-15-8-11-23-17(15)14-4-2-1-3-5-14;/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,19,21);1H/t16-;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021909 (CHEMBL3298591) Show SMILES O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C17H19N3O2S/c21-16(22-17-6-9-20(10-7-17)11-8-17)19-15-14(23-12-18-15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50021935 (CHEMBL3298600) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H20FN3O2S.HI/c1-22-9-6-18(7-10-22,8-11-22)24-17(23)21-16-15(25-12-20-16)13-2-4-14(19)5-3-13;/h2-5,12H,6-11H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021901 (CHEMBL3298334) Show SMILES Cl.O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-6-9-20(10-7-18)11-8-18)19-16-13-23-12-15(16)14-4-2-1-3-5-14;/h1-5,12-13H,6-11H2,(H,19,21);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50396885 (CHEMBL2170669) Show SMILES COC1Cc2cscc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H23NO2S/c1-21-18-11-16-13-23-14-17(16)19(22-18)7-9-20(10-8-19)12-15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting				J Med Chem 55: 8047-65 (2012) Article DOI: 10.1021/jm300894h BindingDB Entry DOI: 10.7270/Q2G44RDB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50007522 (5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC |r| Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institutet Curated by ChEMBL					Assay Description Binding affinity to dopamine D3 receptor (unknown origin)				Bioorg Med Chem 16: 6467-73 (2008) Article DOI: 10.1016/j.bmc.2008.05.039 BindingDB Entry DOI: 10.7270/Q2QN66JM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021926 (CHEMBL3298598) Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-7-5-12(6-8-22)15(10-22)24-18(23)21-17-16(25-11-20-17)13-3-2-4-14(19)9-13;/h2-4,9,11-12,15H,5-8,10H2,1H3;1H/t12?,15-,22?;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50396850 (CHEMBL2170496) Show SMILES COC1Cc2c(csc2-c2ccc(cc2)C#N)C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C26H26N2O2S/c1-29-24-15-22-23(18-31-25(22)21-9-7-19(16-27)8-10-21)26(30-24)11-13-28(14-12-26)17-20-5-3-2-4-6-20/h2-10,18,24H,11-15,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting				J Med Chem 55: 8047-65 (2012) Article DOI: 10.1021/jm300894h BindingDB Entry DOI: 10.7270/Q2G44RDB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021892 (Ipratropium Bromide) Show SMILES [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |TLB:10:8:22:4.3,23:22:8.7.9:4.3,THB:24:22:8.7.9:4.3| Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?;	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	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 GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021926 (CHEMBL3298598) Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-7-5-12(6-8-22)15(10-22)24-18(23)21-17-16(25-11-20-17)13-3-2-4-14(19)9-13;/h2-4,9,11-12,15H,5-8,10H2,1H3;1H/t12?,15-,22?;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50344285 (CHEMBL1779047 | quinuclidin-4-yl biphenyl-2-ylcarb...) Show SMILES O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C20H22N2O2/c23-19(24-20-10-13-22(14-11-20)15-12-20)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021893 (CHEMBL3298333) Show SMILES O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C18H20N2O2S/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-16-15(6-13-23-16)14-4-2-1-3-5-14/h1-6,13H,7-12H2,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50396883 (CHEMBL2170667) Show SMILES C(N1CCC2(CC1)OCCc1cscc21)c1ccccc1 Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)12-19-9-7-18(8-10-19)17-14-21-13-16(17)6-11-20-18/h1-5,13-14H,6-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting				J Med Chem 55: 8047-65 (2012) Article DOI: 10.1021/jm300894h BindingDB Entry DOI: 10.7270/Q2G44RDB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021924 (CHEMBL3298597) Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1ccccc1 |r| Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-9-7-13(8-10-21)15(11-21)23-18(22)20-17-16(24-12-19-17)14-5-3-2-4-6-14;/h2-6,12-13,15H,7-11H2,1H3;1H/t13?,15-,21?;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50021924 (CHEMBL3298597) Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1ccccc1 |r| Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-9-7-13(8-10-21)15(11-21)23-18(22)20-17-16(24-12-19-17)14-5-3-2-4-6-14;/h2-6,12-13,15H,7-11H2,1H3;1H/t13?,15-,21?;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377618 (CHEMBL254353) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(F)c(-[#7]-[#6]-c2cccc3cccnc23)ccc1C#N Show InChI InChI=1S/C22H22FN7O2/c23-20-17(11-19(31)27-9-10-32-30-22(25)26)15(12-24)6-7-18(20)29-13-16-4-1-3-14-5-2-8-28-21(14)16/h1-8,29H,9-11,13H2,(H,27,31)(H4,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021909 (CHEMBL3298591) Show SMILES O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C17H19N3O2S/c21-16(22-17-6-9-20(10-7-17)11-8-17)19-15-14(23-12-18-15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50021904 (CHEMBL3298588) Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-15-6-13-23-16(15)14-4-2-1-3-5-14;/h1-6,13H,7-12H2,(H,19,21);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021901 (CHEMBL3298334) Show SMILES Cl.O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2 Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-6-9-20(10-7-18)11-8-18)19-16-13-23-12-15(16)14-4-2-1-3-5-14;/h1-5,12-13H,6-11H2,(H,19,21);1H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377625 (CHEMBL254557) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(F)c(-[#7]-[#6]C(F)(F)c2ccc(Cl)cn2)ccc1C#N Show InChI InChI=1S/C19H19ClF3N7O2/c20-12-2-4-15(28-9-12)19(22,23)10-29-14-3-1-11(8-24)13(17(14)21)7-16(31)27-5-6-32-30-18(25)26/h1-4,9,29H,5-7,10H2,(H,27,31)(H4,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.574	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P5 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.626	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50021938 (CHEMBL3298763) Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377615 (CHEMBL254962) Show SMILES CS(=O)(=O)c1ccccc1C(F)(F)CNc1ccc(C#N)c(CC(=O)NCCONC(N)=N)c1F Show InChI InChI=1S/C21H23F3N6O4S/c1-35(32,33)17-5-3-2-4-15(17)21(23,24)12-29-16-7-6-13(11-25)14(19(16)22)10-18(31)28-8-9-34-30-20(26)27/h2-7,29H,8-10,12H2,1H3,(H,28,31)(H4,26,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377623 (CHEMBL254759) Show SMILES N\C([NH-])=[NH+]\OCCNC(=O)Cc1c(F)c(NCC(F)(F)c2ccc(Cl)c[n+]2[O-])ccc1C#N Show InChI InChI=1S/C19H19ClF3N7O3/c20-12-2-4-15(30(32)9-12)19(22,23)10-28-14-3-1-11(8-24)13(17(14)21)7-16(31)27-5-6-33-29-18(25)26/h1-4,9,28H,5-7,10H2,(H5,25,26,27,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50021910 (CHEMBL3298592) Show SMILES Cl.O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(29.91,-10.86,;32.24,-6.16,;30.91,-6.93,;29.57,-6.15,;29.58,-4.61,;30.82,-3.72,;30.35,-2.26,;28.81,-2.25,;28.33,-3.72,;26.87,-4.18,;25.72,-3.15,;24.26,-3.63,;23.94,-5.14,;25.09,-6.17,;26.55,-5.68,;30.9,-8.47,;32.23,-9.24,;32.23,-10.77,;33.57,-11.55,;34.9,-10.78,;34.91,-9.23,;33.59,-8.46,;32.83,-9.8,;34.33,-10.2,)| Show InChI InChI=1S/C17H19N3O2S.ClH/c21-17(22-14-10-20-8-6-12(14)7-9-20)19-16-15(23-11-18-16)13-4-2-1-3-5-13;/h1-5,11-12,14H,6-10H2,(H,19,21);1H/t14-;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane				Bioorg Med Chem 22: 3478-87 (2014) Article DOI: 10.1016/j.bmc.2014.04.031 BindingDB Entry DOI: 10.7270/Q2XS5X00
					More data for this Ligand-Target Pair

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