BDBM50419501 CHEMBL1921911

SMILES: C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCC3=CC4CCOC4C=C3)CCC1CC2)c1ccccc1

InChI Key: InChIKey=AIMRQTXCPBQWFD-FYQWWBFWSA-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 = 50419501   

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))	BDBM50419501 (CHEMBL1921911) Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCC3=CC4CCOC4C=C3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,c:25,t:17,(45.85,-43.25,;45.86,-41.71,;45.85,-40.16,;47.19,-39.39,;47.19,-37.85,;45.85,-37.08,;44.51,-37.85,;44.51,-39.4,;47.2,-42.48,;47.2,-44.03,;48.54,-41.7,;49.88,-42.47,;49.88,-44.02,;51.22,-44.78,;51.26,-46.32,;52.62,-47.05,;53.95,-46.28,;55.28,-47.05,;56.61,-46.28,;58.07,-46.75,;58.98,-45.51,;58.07,-44.27,;56.61,-44.74,;55.28,-43.97,;53.95,-44.74,;52.55,-44.02,;52.55,-42.47,;51.22,-41.69,;50.43,-43.02,;51.92,-43.41,;44.52,-42.46,;43.19,-41.68,;41.85,-42.44,;41.84,-43.98,;43.18,-44.76,;44.51,-44,)| Show InChI InChI=1S/C31H43N2O3/c1-31(27-8-4-2-5-9-27,32-16-6-3-7-17-32)30(34)36-29-23-33(19-13-25(29)14-20-33)18-12-24-10-11-28-26(22-24)15-21-35-28/h2,4-5,8-11,22,25-26,28-29H,3,6-7,12-21,23H2,1H3/q+1/t25?,26?,28?,29-,31-,33?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.158	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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