BDBM50228614 CHEMBL51405

SMILES: CC1CCC(=O)N1CC#CCN1CCCC1

InChI Key: InChIKey=BZCOASIWPFVBQZ-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50228614   

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)	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	1.5	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)	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	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)	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 Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.				J Med Chem 35: 285-94 (1992) BindingDB Entry DOI: 10.7270/Q28G8NXX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (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 (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 UniProtKB/TrEMBL 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 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
Muscarinic acetylcholine receptor (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 UniProtKB/TrEMBL 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