BDBM50246674 CHEMBL4072787

SMILES: C(OC1CCNC1)c1nccs1

InChI Key: InChIKey=BNHTVWFUKJBIGY-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 = 50246674   

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 M3 (Homo sapiens (Human))	BDBM50246674 (CHEMBL4072787) Show SMILES C(OC1CCNC1)c1nccs1 Show InChI InChI=1S/C8H12N2OS/c1-2-9-5-7(1)11-6-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	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
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50246674 (CHEMBL4072787) Show SMILES C(OC1CCNC1)c1nccs1 Show InChI InChI=1S/C8H12N2OS/c1-2-9-5-7(1)11-6-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	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
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human))	BDBM50246674 (CHEMBL4072787) Show SMILES C(OC1CCNC1)c1nccs1 Show InChI InChI=1S/C8H12N2OS/c1-2-9-5-7(1)11-6-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	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
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human))	BDBM50246674 (CHEMBL4072787) Show SMILES C(OC1CCNC1)c1nccs1 Show InChI InChI=1S/C8H12N2OS/c1-2-9-5-7(1)11-6-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.90E+3	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
					More data for this Ligand-Target Pair