BDBM50065220 1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(4-methoxy-phenyl)-prop-2-ynyl]-oxime::CHEMBL84919

SMILES: COc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2

InChI Key: InChIKey=DMFYILRTMAAJKX-WUKNDPDISA-N

Data: 4 IC50

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 4 hits for monomerid = 50065220   

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 M2 (Homo sapiens (Human))	BDBM50065220 (1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(4-methoxy-p...) Show SMILES COc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2 Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-4-13(5-7-15)3-2-10-20-17-16-12-18-9-8-14(16)11-18/h4-7,14H,8-12H2,1H3/b17-16+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylcholine receptor M2				J Med Chem 41: 2524-36 (1998) Article DOI: 10.1021/jm960683m BindingDB Entry DOI: 10.7270/Q2VD6XKK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50065220 (1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(4-methoxy-p...) Show SMILES COc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2 Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-4-13(5-7-15)3-2-10-20-17-16-12-18-9-8-14(16)11-18/h4-7,14H,8-12H2,1H3/b17-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards muscarinic receptor using [3H]quinuclidinyl benzilate (QNB) to label antagonist sites in membrane preparations from rat neoc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2736T2X
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50065220 (1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(4-methoxy-p...) Show SMILES COc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2 Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-4-13(5-7-15)3-2-10-20-17-16-12-18-9-8-14(16)11-18/h4-7,14H,8-12H2,1H3/b17-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards muscarinic receptor using [3H]cis-methyldioxolane (CMD) to label agonist sites in membrane preparations from rat neocortex				Citation and Details BindingDB Entry DOI: 10.7270/Q2736T2X
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50065220 (1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(4-methoxy-p...) Show SMILES COc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2 Show InChI InChI=1S/C16H18N2O2/c1-19-15-6-4-13(5-7-15)3-2-10-20-17-16-12-18-9-8-14(16)11-18/h4-7,14H,8-12H2,1H3/b17-16+	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylcholine receptor M1				J Med Chem 41: 2524-36 (1998) Article DOI: 10.1021/jm960683m BindingDB Entry DOI: 10.7270/Q2VD6XKK
					More data for this Ligand-Target Pair