Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50048834   

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)	BDBM50228614 (CHEMBL51405) Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1 Show InChI InChI=1S/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50228609 (CHEMBL154778) Show SMILES CC1CCC(=O)N1CC#CC[N+](C)(C)C Show InChI InChI=1S/C12H21N2O/c1-11-7-8-12(15)13(11)9-5-6-10-14(2,3)4/h11H,7-10H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50228607 (CHEMBL152827) Show SMILES O=C1CCN1CC#CCN1CCCC1 Show InChI InChI=1S/C11H16N2O/c14-11-5-10-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50228610 (CHEMBL345627) Show SMILES CC1CC(=O)N1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c1-11-10-12(15)14(11)9-5-4-8-13-6-2-3-7-13/h11H,2-3,6-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50004737 (3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...) Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50228608 (CHEMBL48269) Show SMILES CC1CCC(=O)N1CC#CCN(C)C Show InChI InChI=1S/C11H18N2O/c1-10-6-7-11(14)13(10)9-5-4-8-12(2)3/h10H,6-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50228613 (CHEMBL347387) Show SMILES CC1CN(CC#CCN2CCCC2)C(=O)C1 Show InChI InChI=1S/C13H20N2O/c1-12-10-13(16)15(11-12)9-5-4-8-14-6-2-3-7-14/h12H,2-3,6-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50228612 (CHEMBL154006) Show SMILES CC1CN(CC#CCN2CCCC2)C1=O Show InChI InChI=1S/C12H18N2O/c1-11-10-14(12(11)15)9-5-4-8-13-6-2-3-7-13/h11H,2-3,6-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50228611 (CHEMBL155528) Show SMILES CC1CC(=O)N1CC#CC[N+](C)(C)C Show InChI InChI=1S/C11H19N2O/c1-10-9-11(14)12(10)7-5-6-8-13(2,3)4/h10H,7-9H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50228615 (CHEMBL346798) Show SMILES CC1CC(=O)N1CC#CCN(C)C Show InChI InChI=1S/C10H16N2O/c1-9-8-10(13)12(9)7-5-4-6-11(2)3/h9H,6-8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50228610 (CHEMBL345627) Show SMILES CC1CC(=O)N1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c1-11-10-12(15)14(11)9-5-4-8-13-6-2-3-7-13/h11H,2-3,6-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Dissociation constant of the drug-Muscarinic acetylcholine receptor complex.				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50228609 (CHEMBL154778) Show SMILES CC1CCC(=O)N1CC#CC[N+](C)(C)C Show InChI InChI=1S/C12H21N2O/c1-11-7-8-12(15)13(11)9-5-6-10-14(2,3)4/h11H,7-10H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Dissociation constant of the drug-Muscarinic acetylcholine receptor complex.				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Dissociation constant of the drug-Muscarinic acetylcholine receptor complex.				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50228614 (CHEMBL51405) Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1 Show InChI InChI=1S/C13H20N2O/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14/h12H,2-3,6-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Dissociation constant of the drug-Muscarinic acetylcholine receptor complex.				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50228613 (CHEMBL347387) Show SMILES CC1CN(CC#CCN2CCCC2)C(=O)C1 Show InChI InChI=1S/C13H20N2O/c1-12-10-13(16)15(11-12)9-5-4-8-14-6-2-3-7-14/h12H,2-3,6-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Dissociation constant of the drug-Muscarinic acetylcholine receptor complex.				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50228608 (CHEMBL48269) Show SMILES CC1CCC(=O)N1CC#CCN(C)C Show InChI InChI=1S/C11H18N2O/c1-10-6-7-11(14)13(10)9-5-4-8-12(2)3/h10H,6-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Dissociation constant of the drug-Muscarinic acetylcholine receptor complex.				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50004737 (3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...) Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Dissociation constant of the drug-Muscarinic acetylcholine receptor complex.				J Med Chem 33: 580-4 (1990) BindingDB Entry DOI: 10.7270/Q2GB2687
					More data for this Ligand-Target Pair