BDBM50004728 1-Methyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-ynyl)-urea::CHEMBL109626

SMILES: CC(C#CCN1CCCC1)N(C)C(N)=O

InChI Key: InChIKey=PKIKRSRZKIONLK-UHFFFAOYSA-N

Data: 1 KI  1 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 3 hits for monomerid = 50004728   

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 M3 (Cavia porcellus)	BDBM50004728 (1-Methyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-ynyl)...) Show SMILES CC(C#CCN1CCCC1)N(C)C(N)=O Show InChI InChI=1S/C11H19N3O/c1-10(13(2)11(12)15)6-5-9-14-7-3-4-8-14/h10H,3-4,7-9H2,1-2H3,(H2,12,15)	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	710	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 (RAT)	BDBM50004728 (1-Methyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-ynyl)...) Show SMILES CC(C#CCN1CCCC1)N(C)C(N)=O Show InChI InChI=1S/C11H19N3O/c1-10(13(2)11(12)15)6-5-9-14-7-3-4-8-14/h10H,3-4,7-9H2,1-2H3,(H2,12,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	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)	BDBM50004728 (1-Methyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-ynyl)...) Show SMILES CC(C#CCN1CCCC1)N(C)C(N)=O Show InChI InChI=1S/C11H19N3O/c1-10(13(2)11(12)15)6-5-9-14-7-3-4-8-14/h10H,3-4,7-9H2,1-2H3,(H2,12,15)	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 Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum				J Med Chem 35: 3270-9 (1992) BindingDB Entry DOI: 10.7270/Q2KP813K
					More data for this Ligand-Target Pair