BindingDB PrimarySearch

BDBM50448377 CHEMBL3121473

SMILES: C[N+](C)(C)CC#CCOC1=NOCC1

InChI Key: InChIKey=WXXOCGISBCTWPW-UHFFFAOYSA-N

Data: 9 KI 1 IC50 1 Kd 4 EC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50448377
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M2 receptor expressed in HEK293T cell membranes after 1 hr by liqu...				J Med Chem 60: 9239-9250 (2017) Article DOI: 10.1021/acs.jmedchem.7b01113 BindingDB Entry DOI: 10.7270/Q2445PW2
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M5 receptor expressed in CHO-K1 cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y104A mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M1 receptor expressed in HEK293T cell membranes after 1 hr by liqu...				J Med Chem 60: 9239-9250 (2017) Article DOI: 10.1021/acs.jmedchem.7b01113 BindingDB Entry DOI: 10.7270/Q2445PW2
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M3 receptor expressed in HEK293T cell membranes after 1 hr by liqu...				J Med Chem 60: 9239-9250 (2017) Article DOI: 10.1021/acs.jmedchem.7b01113 BindingDB Entry DOI: 10.7270/Q2445PW2
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	0.280	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human recombinant muscarinic M2 receptor co-expressed with Galphaqi5-HA in African green monkey COS7 cells assessed as IP accumul...				J Med Chem 60: 9239-9250 (2017) Article DOI: 10.1021/acs.jmedchem.7b01113 BindingDB Entry DOI: 10.7270/Q2445PW2
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinergic, muscarinic (GUINEA PIG)	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	0.166	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Agonist activity at muscarinic M3 receptor in albino guinea pig ileum assessed as stimulation of electrically-induced response				Eur J Med Chem 75: 222-32 (2014) Article DOI: 10.1016/j.ejmech.2014.01.032 BindingDB Entry DOI: 10.7270/Q2K075RG
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinergic, muscarinic (GUINEA PIG)	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	0.0794	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Agonist activity at muscarinic M2 receptor in albino guinea pig left atrium assessed as stimulation of electrically-induced response				Eur J Med Chem 75: 222-32 (2014) Article DOI: 10.1016/j.ejmech.2014.01.032 BindingDB Entry DOI: 10.7270/Q2K075RG
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50448377 (CHEMBL3121473) Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 \|t:9\| Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M1 receptor expressed in HEK293T cells co-expressing Galpha subunit and PLC-beta3 by split luciferase complement...				J Med Chem 62: 3009-3020 (2019) Article DOI: 10.1021/acs.jmedchem.8b01822
Julius Maximilian University of W£rzburg Curated by ChEMBL					More data for this Ligand-Target Pair