BDBM50419527 CHEMBL1921919

SMILES: Cc1cc(CCC[N+]23CCC(CC2)[C@H](C3)OC(=O)[C@@](C)(N2CCCCC2)c2ccccc2)ccn1

InChI Key: InChIKey=DYBHRYASVPRHCT-KIKKPEDASA-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 = 50419527   

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))	BDBM50419527 (CHEMBL1921919) Show SMILES Cc1cc(CCC[N+]23CCC(CC2)[C@H](C3)OC(=O)[C@@](C)(N2CCCCC2)c2ccccc2)ccn1 |r,wU:18.20,wD:18.19,13.16,(4.91,-28.76,;4.86,-27.22,;3.51,-26.49,;3.47,-24.96,;2.11,-24.23,;.8,-25.03,;-.55,-24.3,;-.6,-22.76,;.74,-22.01,;.74,-20.46,;-.6,-19.67,;-1.38,-21,;.1,-21.4,;-1.94,-20.46,;-1.94,-22.01,;-3.28,-19.68,;-4.62,-20.47,;-4.61,-22.01,;-5.96,-19.69,;-5.97,-21.24,;-5.97,-18.14,;-4.63,-17.37,;-4.63,-15.83,;-5.97,-15.05,;-7.31,-15.83,;-7.31,-17.38,;-7.29,-20.47,;-8.62,-19.7,;-9.95,-20.48,;-9.94,-22.02,;-8.6,-22.78,;-7.27,-22,;4.77,-24.14,;6.12,-24.87,;6.17,-26.41,)| Show InChI InChI=1S/C30H42N3O2/c1-24-22-25(13-16-31-24)10-9-19-33-20-14-26(15-21-33)28(23-33)35-29(34)30(2,27-11-5-3-6-12-27)32-17-7-4-8-18-32/h3,5-6,11-13,16,22,26,28H,4,7-10,14-15,17-21,23H2,1-2H3/q+1/t26?,28-,30-,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	0.126	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
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