BDBM50419482 CHEMBL1921940

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

InChI Key: InChIKey=DYNQEVUMIFLEOX-WFMIRFNLSA-O

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 = 50419482   

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))	BDBM50419482 (CHEMBL1921940) Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(N)=O)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:11.11,1.8,(12.77,-33.6,;12.78,-32.06,;12.77,-30.52,;14.11,-29.75,;14.11,-28.22,;12.77,-27.44,;11.44,-28.22,;11.43,-29.76,;14.12,-32.84,;14.12,-34.38,;15.45,-32.06,;16.79,-32.83,;16.79,-34.37,;18.13,-35.13,;18.14,-36.67,;19.47,-37.42,;20.8,-36.65,;19.48,-38.96,;19.46,-34.37,;19.46,-32.83,;18.13,-32.04,;17.34,-33.37,;18.83,-33.77,;11.45,-32.83,;10.13,-32.06,;8.8,-32.83,;8.8,-34.37,;10.14,-35.13,;11.46,-34.36,)| Show InChI InChI=1S/C23H33N3O3/c1-23(19-8-4-2-5-9-19,25-12-6-3-7-13-25)22(28)29-20-16-26(17-21(24)27)14-10-18(20)11-15-26/h2,4-5,8-9,18,20H,3,6-7,10-17H2,1H3,(H-,24,27)/p+1/t18?,20-,23-,26?/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	0.200	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