Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'frey' and Initial = 'ka'   

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/M2/M3/M4/M5 (RAT)	BDBM50473051 (CHEMBL142136) Show SMILES OC(C(=O)OC1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27NO3/c28-25(26(29,22-12-6-2-7-13-22)23-14-8-3-9-15-23)30-24-16-18-27(19-17-24)20-21-10-4-1-5-11-21/h1-15,24,29H,16-20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50128836 (CHEMBL143228) Show SMILES CN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473042 (CHEMBL141269) Show SMILES OC(C(=O)OC1CCN(Cc2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H26FNO3/c27-23-13-11-20(12-14-23)19-28-17-15-24(16-18-28)31-25(29)26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,30H,15-19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473044 (CHEMBL343764) Show SMILES CCN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473039 (CHEMBL423551) Show SMILES OC(C(=O)OC1CCCNC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H21NO3/c21-18(23-17-12-7-13-20-14-17)19(22,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,20,22H,7,12-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473050 (CHEMBL342839) Show SMILES CCN1CCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C20H23NO3/c1-2-21-14-13-18(15-21)24-19(22)20(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,23H,2,13-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473045 (CHEMBL142084) Show SMILES CN1CCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H21NO3/c1-20-13-12-17(14-20)23-18(21)19(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473047 (CHEMBL139948) Show SMILES CN1CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C20H23NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18,23H,8,13-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473046 (CHEMBL342669) Show SMILES CCN1CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H25NO3/c1-2-22-15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,2,9,14-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473053 (CHEMBL141559) Show SMILES OC(C(=O)OC1CCN(CCF)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24FNO3/c22-13-16-23-14-11-19(12-15-23)26-20(24)21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,25H,11-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473067 (CHEMBL343290) Show SMILES CCCN1CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-9-14-20(17-23)26-21(24)22(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20,25H,2,9,14-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473065 (CHEMBL139610) Show SMILES OC(C(=O)OC1CCNC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C18H19NO3/c20-17(22-16-11-12-19-13-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19,21H,11-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM47032 (2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...) Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins				ACS Med Chem Lett 3: 936-941 (2012) Article DOI: 10.1021/ml300216t BindingDB Entry DOI: 10.7270/Q2Z320TV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473064 (CHEMBL140277) Show SMILES CC(CF)N1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H26FNO3/c1-17(16-23)24-14-12-20(13-15-24)27-21(25)22(26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,26H,12-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50048893 ((2R,3R,11bR)-3-Isobutyl-9,10-dimethoxy-2-methyl-1,...) Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@](C)(O)C[C@@H]3c2cc1OC Show InChI InChI=1S/C20H31NO3/c1-13(2)8-15-12-21-7-6-14-9-18(23-4)19(24-5)10-16(14)17(21)11-20(15,3)22/h9-10,13,15,17,22H,6-8,11-12H2,1-5H3/t15-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular monoamine transporter 2 (VMAT2)				J Med Chem 39: 191-6 (1996) Article DOI: 10.1021/jm950117b BindingDB Entry DOI: 10.7270/Q2FJ2FVH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473066 (CHEMBL141842) Show SMILES OC(C(=O)OC1CCN(CCc2ccccc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H29NO3/c29-26(27(30,23-12-6-2-7-13-23)24-14-8-3-9-15-24)31-25-17-20-28(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25,30H,16-21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473059 (CHEMBL336052) Show SMILES CC(CF)N1CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H26FNO3/c1-17(15-23)24-14-8-13-20(16-24)27-21(25)22(26,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,17,20,26H,8,13-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473040 (CHEMBL341731) Show SMILES CC(CF)N1CCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24FNO3/c1-16(14-22)23-13-12-19(15-23)26-20(24)21(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19,25H,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473056 (CHEMBL141097) Show SMILES OC(C(=O)OC1CCNCC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473057 (CHEMBL335339) Show SMILES OC(C(=O)OC1CCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H25NO3/c27-24(29-23-16-17-26(19-23)18-20-10-4-1-5-11-20)25(28,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,28H,16-19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473062 (CHEMBL142026) Show SMILES CCCN1CCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H25NO3/c1-2-14-22-15-13-19(16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50048891 ((3R,11bR)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-...) Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)C(=O)C[C@@H]3c2cc1OC Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular monoamine transporter 2 (VMAT2)				J Med Chem 39: 191-6 (1996) Article DOI: 10.1021/jm950117b BindingDB Entry DOI: 10.7270/Q2FJ2FVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473043 (CHEMBL140576) Show SMILES OC(C(=O)OC1CCN(CCF)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C20H22FNO3/c21-12-14-22-13-11-18(15-22)25-19(23)20(24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,24H,11-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473041 (CHEMBL140993) Show SMILES CC(C)N1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473058 (CHEMBL141397) Show SMILES OC(C(=O)OC1CCCN(CCCF)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H26FNO3/c23-14-8-16-24-15-7-13-20(17-24)27-21(25)22(26,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20,26H,7-8,13-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50048892 ((2S,3R,11bR)-3-Isobutyl-9,10-dimethoxy-2-methyl-1,...) Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@@](C)(O)C[C@@H]3c2cc1OC Show InChI InChI=1S/C20H31NO3/c1-13(2)8-15-12-21-7-6-14-9-18(23-4)19(24-5)10-16(14)17(21)11-20(15,3)22/h9-10,13,15,17,22H,6-8,11-12H2,1-5H3/t15-,17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular monoamine transporter 2 (VMAT2)				J Med Chem 39: 191-6 (1996) Article DOI: 10.1021/jm950117b BindingDB Entry DOI: 10.7270/Q2FJ2FVH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473055 (CHEMBL343340) Show SMILES OC(C(=O)OC1CCCN(CCF)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24FNO3/c22-13-15-23-14-7-12-19(16-23)26-20(24)21(25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,25H,7,12-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473048 (CHEMBL421933) Show SMILES OC(C(=O)OC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H26N2O5/c29-25(26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22)33-24-15-17-27(18-16-24)19-20-11-13-23(14-12-20)28(31)32/h1-14,24,30H,15-19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473063 (CHEMBL141174) Show SMILES OC(C(=O)OC1CCN(CCCF)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24FNO3/c22-13-7-14-23-15-12-19(16-23)26-20(24)21(25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,25H,7,12-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473049 (CHEMBL141701) Show SMILES OC(C(=O)OC1CCN(Cc2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H24FNO3/c26-22-13-11-19(12-14-22)17-27-16-15-23(18-27)30-24(28)25(29,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23,29H,15-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473038 (CHEMBL337773) Show SMILES OC(C(=O)OC1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H28N2O5/c30-26(27(31,22-7-3-1-4-8-22)23-9-5-2-6-10-23)34-25-16-19-28(20-17-25)18-15-21-11-13-24(14-12-21)29(32)33/h1-14,25,31H,15-20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50048895 ((2S,3R,11bR)-2,3-Diisobutyl-9,10-dimethoxy-1,3,4,6...) Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@](O)(CC(C)C)C[C@@H]3c2cc1OC Show InChI InChI=1S/C23H37NO3/c1-15(2)9-18-14-24-8-7-17-10-21(26-5)22(27-6)11-19(17)20(24)13-23(18,25)12-16(3)4/h10-11,15-16,18,20,25H,7-9,12-14H2,1-6H3/t18-,20-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular monoamine transporter 2 (VMAT2)				J Med Chem 39: 191-6 (1996) Article DOI: 10.1021/jm950117b BindingDB Entry DOI: 10.7270/Q2FJ2FVH
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50048897 ((2S,3R,11bR)-2-Ethyl-3-isobutyl-9,10-dimethoxy-1,3...) Show SMILES CC[C@]1(O)C[C@H]2N(CCc3cc(OC)c(OC)cc23)C[C@H]1CC(C)C Show InChI InChI=1S/C21H33NO3/c1-6-21(23)12-18-17-11-20(25-5)19(24-4)10-15(17)7-8-22(18)13-16(21)9-14(2)3/h10-11,14,16,18,23H,6-9,12-13H2,1-5H3/t16-,18-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular monoamine transporter 2 (VMAT2)				J Med Chem 39: 191-6 (1996) Article DOI: 10.1021/jm950117b BindingDB Entry DOI: 10.7270/Q2FJ2FVH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473054 (CHEMBL140935) Show SMILES CCCN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50048894 ((2S,3R,11bR)-3-Isobutyl-9,10-dimethoxy-2-propyl-1,...) Show SMILES CCC[C@]1(O)C[C@H]2N(CCc3cc(OC)c(OC)cc23)C[C@H]1CC(C)C Show InChI InChI=1S/C22H35NO3/c1-6-8-22(24)13-19-18-12-21(26-5)20(25-4)11-16(18)7-9-23(19)14-17(22)10-15(2)3/h11-12,15,17,19,24H,6-10,13-14H2,1-5H3/t17-,19-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular monoamine transporter 2 (VMAT2)				J Med Chem 39: 191-6 (1996) Article DOI: 10.1021/jm950117b BindingDB Entry DOI: 10.7270/Q2FJ2FVH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473060 (CHEMBL140992) Show SMILES OC(C(=O)OC1CCN(CCCF)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H26FNO3/c23-14-7-15-24-16-12-20(13-17-24)27-21(25)22(26,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20,26H,7,12-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50048896 ((2S,3R,11bR)-2-tert-Butyl-3-isobutyl-9,10-dimethox...) Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@@](O)(C[C@@H]3c2cc1OC)C(C)(C)C Show InChI InChI=1S/C23H37NO3/c1-15(2)10-17-14-24-9-8-16-11-20(26-6)21(27-7)12-18(16)19(24)13-23(17,25)22(3,4)5/h11-12,15,17,19,25H,8-10,13-14H2,1-7H3/t17-,19-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Compound was tested in vitro for the inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular monoamine transporter 2 (VMAT2)				J Med Chem 39: 191-6 (1996) Article DOI: 10.1021/jm950117b BindingDB Entry DOI: 10.7270/Q2FJ2FVH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473061 (CHEMBL141026) Show SMILES OC(C(=O)OC1CCCN(Cc2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H26FNO3/c27-23-15-13-20(14-16-23)18-28-17-7-12-24(19-28)31-25(29)26(30,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,24,30H,7,12,17-19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50473052 (CHEMBL424105) Show SMILES OC(C(=O)OC1CCCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27NO3/c28-25(26(29,22-13-6-2-7-14-22)23-15-8-3-9-16-23)30-24-17-10-18-27(20-24)19-21-11-4-1-5-12-21/h1-9,11-16,24,29H,10,17-20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand				J Med Chem 43: 4552-62 (2000) Article DOI: 10.1021/jm000305o BindingDB Entry DOI: 10.7270/Q29889RS
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50400616 (CHEMBL2203439) Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2n1C Show InChI InChI=1S/C17H16F3N3O2S/c1-11-13(21-8-7-15(11)25-10-17(18,19)20)9-26(24)16-22-12-5-3-4-6-14(12)23(16)2/h3-8H,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins				ACS Med Chem Lett 3: 936-941 (2012) Article DOI: 10.1021/ml300216t BindingDB Entry DOI: 10.7270/Q2Z320TV
					More data for this Ligand-Target Pair