BDBM50003351 3-(4-butoxy-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,5,6-tetrahydropyridine::5-(4-Butoxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine::5-(4-Butoxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine; oxalic acid::CHEMBL101054

SMILES: CCCCOc1nsnc1C1=CCCN(C)C1

InChI Key: InChIKey=MHWUWCDFTFBXNV-UHFFFAOYSA-N

Data: 1 KI  10 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50003351   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Muscarinic acetylcholine receptor (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex				J Med Chem 40: 538-46 (1997) Article DOI: 10.1021/jm9602470 BindingDB Entry DOI: 10.7270/Q2SQ934F
					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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk CNS Division Curated by ChEMBL					Assay Description In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]-oxotremorine-M (Oxo-M) as radioligand				J Med Chem 35: 2274-83 (1992) BindingDB Entry DOI: 10.7270/Q22J69TH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	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	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferens				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)	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	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus				Bioorg Med Chem Lett 2: 809-814 (1992) Article DOI: 10.1016/S0960-894X(00)80536-3 BindingDB Entry DOI: 10.7270/Q2T72HBX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	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	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells in continuous presence of radioligand				Bioorg Med Chem 16: 1376-92 (2008) Article DOI: 10.1016/j.bmc.2007.10.058 BindingDB Entry DOI: 10.7270/Q2CR5VNC
					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	1.40	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 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand				Bioorg Med Chem Lett 8: 2897-902 (1999) BindingDB Entry DOI: 10.7270/Q27M08GK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-OXO-M (oxotremorine-M) from the central muscarinic receptor sites of the rat brain membranes				Bioorg Med Chem Lett 2: 809-814 (1992) Article DOI: 10.1016/S0960-894X(00)80536-3 BindingDB Entry DOI: 10.7270/Q2T72HBX
					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
Novo Nordisk CNS Division Curated by ChEMBL					Assay Description In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]-oxotremorine-M (Oxo-M) as radioligand				J Med Chem 35: 2274-83 (1992) BindingDB Entry DOI: 10.7270/Q22J69TH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	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	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells by wash-resistant binding method				Bioorg Med Chem 16: 1376-92 (2008) Article DOI: 10.1016/j.bmc.2007.10.058 BindingDB Entry DOI: 10.7270/Q2CR5VNC
					More data for this Ligand-Target Pair