BDBM50419483 CHEMBL1921939

SMILES: C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCOCCc3ccccc3)CCC1CC2)c1ccccc1

InChI Key: InChIKey=RUOCWECVFHBXNS-QKZQWPARSA-N

Data: 1 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 1 hit for monomerid = 50419483   

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))	BDBM50419483 (CHEMBL1921939) Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCOCCc3ccccc3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(-5.49,-33.45,;-5.48,-31.9,;-5.48,-30.36,;-4.14,-29.59,;-4.14,-28.05,;-5.48,-27.27,;-6.82,-28.05,;-6.82,-29.6,;-4.13,-32.68,;-4.13,-34.22,;-2.8,-31.89,;-1.45,-32.67,;-1.45,-34.22,;-.12,-34.97,;-.11,-36.51,;1.23,-37.27,;2.56,-36.5,;3.9,-37.26,;5.22,-36.48,;6.56,-37.24,;6.56,-38.78,;7.9,-39.54,;9.23,-38.76,;9.22,-37.22,;7.88,-36.46,;1.22,-34.22,;1.22,-32.67,;-.12,-31.88,;-.9,-33.21,;.58,-33.61,;-6.81,-32.67,;-8.13,-31.9,;-9.47,-32.67,;-9.47,-34.21,;-8.12,-34.98,;-6.8,-34.21,)| Show InChI InChI=1S/C31H43N2O3/c1-31(28-13-7-3-8-14-28,32-18-9-4-10-19-32)30(34)36-29-25-33(20-15-27(29)16-21-33)22-24-35-23-17-26-11-5-2-6-12-26/h2-3,5-8,11-14,27,29H,4,9-10,15-25H2,1H3/q+1/t27?,29-,31-,33?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]NMS from recombinant human M3 receptor expressed in CHO-K1 cells after 16 hrs				Bioorg Med Chem Lett 21: 7440-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.002 BindingDB Entry DOI: 10.7270/Q2H41SPH
					More data for this Ligand-Target Pair