BDBM50419477 CHEMBL1921946

SMILES: C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3ccccn3)CCC1CC2)c1ccccc1

InChI Key: InChIKey=BKNNXJKQQWVAHA-JSZRZZSISA-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 = 50419477   

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))	BDBM50419477 (CHEMBL1921946) Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3ccccn3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(-5.78,-11.14,;-5.77,-9.6,;-5.77,-8.05,;-4.43,-7.28,;-4.44,-5.75,;-5.77,-4.97,;-7.11,-5.74,;-7.12,-7.29,;-4.43,-10.37,;-4.42,-11.92,;-3.09,-9.59,;-1.75,-10.36,;-1.75,-11.91,;-.41,-12.67,;-.4,-14.21,;.93,-14.97,;.94,-16.5,;2.26,-14.19,;3.6,-14.95,;3.6,-16.49,;4.94,-17.25,;6.27,-16.47,;6.25,-14.92,;4.91,-14.17,;.92,-11.91,;.92,-10.36,;-.41,-9.58,;-1.2,-10.91,;.29,-11.3,;-7.1,-10.37,;-8.43,-9.6,;-9.76,-10.36,;-9.76,-11.9,;-8.42,-12.67,;-7.09,-11.9,)| Show InChI InChI=1S/C28H36N4O3/c1-28(23-10-4-2-5-11-23,31-16-8-3-9-17-31)27(34)35-24-20-32(18-13-22(24)14-19-32)21-26(33)30-25-12-6-7-15-29-25/h2,4-7,10-12,15,22,24H,3,8-9,13-14,16-21H2,1H3/p+1/t22?,24-,28-,32?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.126	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