BDBM50223182 2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-one::2-(4-Pyrrolidin-1-yl-but-2-ynyl)-isoxazolidin-3-one::CHEMBL275104

SMILES: O=C1CCON1CC#CCN1CCCC1

InChI Key: InChIKey=VMJSEWCRPGCNOF-UHFFFAOYSA-N

Data: 5 KI  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 9 hits for monomerid = 50223182   

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))	BDBM50223182 (2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...) Show SMILES O=C1CCON1CC#CCN1CCCC1 Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells				Bioorg Med Chem 15: 7626-37 (2007) Article DOI: 10.1016/j.bmc.2007.09.003 BindingDB Entry DOI: 10.7270/Q29K4C27
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50223182 (2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...) Show SMILES O=C1CCON1CC#CCN1CCCC1 Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	222	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells				Bioorg Med Chem 15: 7626-37 (2007) Article DOI: 10.1016/j.bmc.2007.09.003 BindingDB Entry DOI: 10.7270/Q29K4C27
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50223182 (2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...) Show SMILES O=C1CCON1CC#CCN1CCCC1 Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	392	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells				Bioorg Med Chem 15: 7626-37 (2007) Article DOI: 10.1016/j.bmc.2007.09.003 BindingDB Entry DOI: 10.7270/Q29K4C27
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50223182 (2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...) Show SMILES O=C1CCON1CC#CCN1CCCC1 Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells				Bioorg Med Chem 15: 7626-37 (2007) Article DOI: 10.1016/j.bmc.2007.09.003 BindingDB Entry DOI: 10.7270/Q29K4C27
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50223182 (2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...) Show SMILES O=C1CCON1CC#CCN1CCCC1 Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	905	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells				Bioorg Med Chem 15: 7626-37 (2007) Article DOI: 10.1016/j.bmc.2007.09.003 BindingDB Entry DOI: 10.7270/Q29K4C27
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50223182 (2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...) Show SMILES O=C1CCON1CC#CCN1CCCC1 Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic receptor M1 in rat brain using [3H]-PZ (pirenzepine) radioligand at a concentration of 1 nM				Bioorg Med Chem Lett 7: 1033-1036 (1997) Article DOI: 10.1016/S0960-894X(97)00150-9 BindingDB Entry DOI: 10.7270/Q2S46RZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50223182 (2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...) Show SMILES O=C1CCON1CC#CCN1CCCC1 Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic receptor M2 in rat brain using [3H]-QNB (quinuclidinyl benzylate) radioligand at a concentration of 0.12 nM				Bioorg Med Chem Lett 7: 1033-1036 (1997) Article DOI: 10.1016/S0960-894X(97)00150-9 BindingDB Entry DOI: 10.7270/Q2S46RZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50223182 (2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...) Show SMILES O=C1CCON1CC#CCN1CCCC1 Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Muscarinic receptor M2 in rat heart using [3H]-QNB (quinuclidinyl benzylate) radioligand as a M2 non-selective muscarinic receptor antagonist at a co...				Bioorg Med Chem Lett 7: 1033-1036 (1997) Article DOI: 10.1016/S0960-894X(97)00150-9 BindingDB Entry DOI: 10.7270/Q2S46RZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50223182 (2-(4-(pyrrolidin-1-yl)but-2-ynyl)isoxazolidin-3-on...) Show SMILES O=C1CCON1CC#CCN1CCCC1 Show InChI InChI=1S/C11H16N2O2/c14-11-5-10-15-13(11)9-4-3-8-12-6-1-2-7-12/h1-2,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Muscarinic receptor M2 in rat brain using [3H]-QNB (quinuclidinyl benzylate) radioligand at a concentration of 0.12 nM				Bioorg Med Chem Lett 7: 1033-1036 (1997) Article DOI: 10.1016/S0960-894X(97)00150-9 BindingDB Entry DOI: 10.7270/Q2S46RZ2
					More data for this Ligand-Target Pair