BDBM50009300 CHEMBL11081::N-Methyl-N-(4-pyrrolidin-1-yl-but-2-ynyl)-acetamide::UH5;N-Methyl-N-(4-pyrrolidin-1-yl-but-2-ynyl)-acetamide

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

InChI Key: InChIKey=HWYHDWGGACRVEH-UHFFFAOYSA-N

Data: 4 KI  4 IC50  1 Kd

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 9 hits for monomerid = 50009300   

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)	BDBM50009300 (CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...) Show SMILES CN(CC#CCN1CCCC1)C(C)=O Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.920	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)	BDBM50009300 (CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...) Show SMILES CN(CC#CCN1CCCC1)C(C)=O Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	260	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 M3 (RAT)	BDBM50009300 (CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...) Show SMILES CN(CC#CCN1CCCC1)C(C)=O Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Muscarinic acetylcholine receptor binding affinity was determined using [3H]NMS for NG108-15 neuroblastoma cells				J Med Chem 33: 741-8 (1990) BindingDB Entry DOI: 10.7270/Q2NV9JTX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Homo sapiens (Human))	BDBM50009300 (CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...) Show SMILES CN(CC#CCN1CCCC1)C(C)=O Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3	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	4.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity was determined using [3H]-NMS for Muscarinic acetylcholine receptor in SK-N-SH neuroblastoma cells				J Med Chem 33: 741-8 (1990) BindingDB Entry DOI: 10.7270/Q2NV9JTX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50009300 (CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...) Show SMILES CN(CC#CCN1CCCC1)C(C)=O Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor				Bioorg Med Chem Lett 2: 803-808 (1992) Article DOI: 10.1016/S0960-894X(00)80535-1 BindingDB Entry DOI: 10.7270/Q2Z0382N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50009300 (CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...) Show SMILES CN(CC#CCN1CCCC1)C(C)=O Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 0.03 nM [3H]quinuclidinyl benzylate binding to rat neocortex muscarinic receptor				Bioorg Med Chem Lett 2: 803-808 (1992) Article DOI: 10.1016/S0960-894X(00)80535-1 BindingDB Entry DOI: 10.7270/Q2Z0382N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50009300 (CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...) Show SMILES CN(CC#CCN1CCCC1)C(C)=O Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-QNB in genetically transformed mouse cell line (m1C2) transfected with Muscarinic acetylcholine receptor M1				Bioorg Med Chem Lett 2: 803-808 (1992) Article DOI: 10.1016/S0960-894X(00)80535-1 BindingDB Entry DOI: 10.7270/Q2Z0382N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50009300 (CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...) Show SMILES CN(CC#CCN1CCCC1)C(C)=O Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-QNB from Muscarinic acetylcholine receptor M2 from rat heart homogenates				Bioorg Med Chem Lett 2: 803-808 (1992) Article DOI: 10.1016/S0960-894X(00)80535-1 BindingDB Entry DOI: 10.7270/Q2Z0382N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Homo sapiens (Human))	BDBM50009300 (CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...) Show SMILES CN(CC#CCN1CCCC1)C(C)=O Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3	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	2.20E+3	n/a	n/a	n/a	n/a	n/a
University of Uppsala Curated by ChEMBL					Assay Description Equilibrium dissociation constant muscarinic receptor complex, measured in guinea pig ileum				J Med Chem 31: 577-82 (1988) BindingDB Entry DOI: 10.7270/Q2TX3HMS
					More data for this Ligand-Target Pair