BDBM50004726 1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one::CHEMBL51682

SMILES: CC(C#CCN1CCCC1)N1CCCC1=O

InChI Key: InChIKey=LVKGEHAPRFNGNI-UHFFFAOYSA-N

Data: 3 KI  2 Kd  1 EC50

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 6 hits for monomerid = 50004726   

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)	BDBM50004726 (1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...) Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)				J Med Chem 34: 2314-27 (1991) BindingDB Entry DOI: 10.7270/Q2057J5V
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50004726 (1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...) Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]QNB radioligand (in vitro)				J Med Chem 34: 2314-27 (1991) BindingDB Entry DOI: 10.7270/Q2057J5V
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50004726 (1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...) Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3270-9 (1992) BindingDB Entry DOI: 10.7270/Q2KP813K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Cavia porcellus)	BDBM50004726 (1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...) Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum				J Med Chem 35: 3270-9 (1992) BindingDB Entry DOI: 10.7270/Q2KP813K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Cavia porcellus)	BDBM50004726 (1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...) Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum				J Med Chem 35: 3270-9 (1992) BindingDB Entry DOI: 10.7270/Q2KP813K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Homo sapiens (Human))	BDBM50004726 (1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...) Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.				J Med Chem 35: 285-94 (1992) BindingDB Entry DOI: 10.7270/Q28G8NXX
					More data for this Ligand-Target Pair