Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50000244   

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 (RAT)	BDBM50003363 (1-Methyl-5-(4-pentylsulfanyl-[1,2,5]thiadiazol-3-y...) Show SMILES CCCCCSc1nsnc1C1=CCCN(C)C1 |t:12| Show InChI InChI=1S/C13H21N3S2/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-oxotremorine-M (Oxo-M) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003366 (1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...) Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12| Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003366 (1-Methyl-5-(4-pentyloxy-[1,2,5]thiadiazol-3-yl)-1,...) Show SMILES CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12| Show InChI InChI=1S/C13H21N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003355 (5-(4-Hexylsulfanyl-[1,2,5]thiadiazol-3-yl)-1-methy...) Show SMILES CCCCCCSc1nsnc1C1=CCCN(C)C1 |t:13| Show InChI InChI=1S/C14H23N3S2/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003351 (3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,5,...) Show SMILES CCCCOc1nsnc1C1=CCCN(C)C1 |t:11| Show InChI InChI=1S/C12H19N3OS/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003359 (5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...) Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13| Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003356 (5-(4-Heptyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,...) Show SMILES CCCCCCCOc1nsnc1C1=CCCN(C)C1 |t:14| Show InChI InChI=1S/C15H25N3OS/c1-3-4-5-6-7-11-19-15-14(16-20-17-15)13-9-8-10-18(2)12-13/h9H,3-8,10-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003349 (2-Heptyloxy-3-(1-methyl-1,2,5,6-tetrahydro-pyridin...) Show SMILES CCCCCCCOc1nccnc1C1=CCCN(C)C1 |t:15| Show InChI InChI=1S/C17H27N3O/c1-3-4-5-6-7-13-21-17-16(18-10-11-19-17)15-9-8-12-20(2)14-15/h9-11H,3-8,12-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003365 (3-(3-(ethoxy)-1,2,5-thiadiazol-4-yl)-1,2,5,6-tetra...) Show SMILES CCOc1nsnc1C1=CCCN(C)C1 |t:9| Show InChI InChI=1S/C10H15N3OS/c1-3-14-10-9(11-15-12-10)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003350 (5-(4-Heptyl-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3...) Show SMILES CCCCCCCc1nsnc1C1=CCCN(C)C1 |t:13| Show InChI InChI=1S/C15H25N3S/c1-3-4-5-6-7-10-14-15(17-19-16-14)13-9-8-11-18(2)12-13/h9H,3-8,10-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003361 (5-(4-Methoxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,...) Show SMILES COc1nsnc1C1=CCCN(C)C1 |t:8| Show InChI InChI=1S/C9H13N3OS/c1-12-5-3-4-7(6-12)8-9(13-2)11-14-10-8/h4H,3,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against rat hippocampus M1 receptor using [3H]-pirenzepine (Pz) as radioligand				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003358 (5-(4-Chloro-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3...) Show SMILES CN1CCC=C(C1)c1nsnc1Cl |c:4| Show InChI InChI=1S/C8H10ClN3S/c1-12-4-2-3-6(5-12)7-8(9)11-13-10-7/h3H,2,4-5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against rat hippocampus M1 receptor using [3H]-pirenzepine (Pz) as radioligand				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50003353 (2-Chloro-3-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-...) Show SMILES CN1CCC=C(C1)c1nccnc1Cl |c:4| Show InChI InChI=1S/C10H12ClN3/c1-14-6-2-3-8(7-14)9-10(11)13-5-4-12-9/h3-5H,2,6-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM46858 (1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...) Show SMILES COC(=O)C1=CCCN(C)C1 |t:4| Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1				J Med Chem 35: 4011-9 (1992) BindingDB Entry DOI: 10.7270/Q2KW5F1K
					More data for this Ligand-Target Pair