Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50036106   

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 (Mus musculus)	BDBM50005509 (CHEMBL268499 | {5-[6-(5-Dimethylaminomethyl-furan-...) Show SMILES CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1 Show InChI InChI=1S/C22H36N2O2S2/c1-23(2)15-19-9-11-21(25-19)17-27-13-7-5-6-8-14-28-18-22-12-10-20(26-22)16-24(3)4/h9-12H,5-8,13-18H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Mus musculus)	BDBM50005502 (CHEMBL12472 | {5-[4-(5-Dimethylaminomethyl-furan-2...) Show SMILES CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1 Show InChI InChI=1S/C24H32N2O2S2/c1-25(2)13-21-9-11-23(27-21)17-29-15-19-5-7-20(8-6-19)16-30-18-24-12-10-22(28-24)14-26(3)4/h5-12H,13-18H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Mus musculus)	BDBM50005497 (CHEMBL12937 | {5-[4-(5-Dimethylaminomethyl-furan-2...) Show SMILES CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1 Show InChI InChI=1S/C20H32N2O2S2/c1-21(2)13-17-7-9-19(23-17)15-25-11-5-6-12-26-16-20-10-8-18(24-20)14-22(3)4/h7-10H,5-6,11-16H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Mus musculus)	BDBM50005493 (CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...) Show SMILES [#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1 Show InChI InChI=1S/C22H34N6O2S2/c1-27(2)13-18-5-7-20(29-18)15-31-11-9-24-22(26-17-23)25-10-12-32-16-21-8-6-19(30-21)14-28(3)4/h5-8H,9-16H2,1-4H3,(H2,24,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Mus musculus)	BDBM50005498 (CHEMBL12781 | {5-[4'-(5-Dimethylaminomethyl-furan-...) Show SMILES CN(C)Cc1ccc(CSCc2ccc(cc2)-c2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1 Show InChI InChI=1S/C30H36N2O2S2/c1-31(2)17-27-13-15-29(33-27)21-35-19-23-5-9-25(10-6-23)26-11-7-24(8-12-26)20-36-22-30-16-14-28(34-30)18-32(3)4/h5-16H,17-22H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Mus musculus)	BDBM50005495 (CHEMBL13166 | {5-[5-(5-Dimethylaminomethyl-furan-2...) Show SMILES CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1 Show InChI InChI=1S/C21H34N2O2S2/c1-22(2)14-18-8-10-20(24-18)16-26-12-6-5-7-13-27-17-21-11-9-19(25-21)15-23(3)4/h8-11H,5-7,12-17H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Mus musculus)	BDBM50005503 (CHEMBL13308 | {5-[2-(5-Dimethylaminomethyl-furan-2...) Show SMILES CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1 Show InChI InChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Mus musculus)	BDBM50005501 (CHEMBL275537 | {5-[3-(5-Dimethylaminomethyl-furan-...) Show SMILES CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1 Show InChI InChI=1S/C19H30N2O2S2/c1-20(2)12-16-6-8-18(22-16)14-24-10-5-11-25-15-19-9-7-17(23-19)13-21(3)4/h6-9H,5,10-15H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Mus musculus)	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair