BDBM50419535 CHEMBL1922053

SMILES: C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3cncc(Cl)n3)CCC1CC2)c1cccs1

InChI Key: InChIKey=FNLYMMFDVOHLPL-UCZZCIKGSA-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 = 50419535   

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))	BDBM50419535 (CHEMBL1922053) Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3cncc(Cl)n3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:1.8,11.11,(-7.42,-34.35,;-7.41,-32.8,;-7.41,-31.26,;-6.07,-30.49,;-6.07,-28.95,;-7.41,-28.18,;-8.75,-28.95,;-8.75,-30.5,;-6.06,-33.58,;-6.06,-35.12,;-4.73,-32.8,;-3.39,-33.57,;-3.39,-35.11,;-2.05,-35.87,;-2.04,-37.41,;-.7,-38.17,;-.69,-39.71,;.62,-37.39,;1.96,-38.15,;3.27,-37.37,;4.61,-38.12,;4.63,-39.67,;3.3,-40.45,;3.31,-41.99,;1.96,-39.69,;-.72,-35.11,;-.72,-33.57,;-2.05,-32.78,;-2.83,-34.11,;-1.35,-34.51,;-8.74,-33.57,;-10.19,-33.09,;-11.11,-34.32,;-10.22,-35.57,;-8.75,-35.12,)| Show InChI InChI=1S/C25H32ClN5O3S/c1-25(20-6-5-13-35-20,30-9-3-2-4-10-30)24(33)34-19-16-31(11-7-18(19)8-12-31)17-23(32)29-22-15-27-14-21(26)28-22/h5-6,13-15,18-19H,2-4,7-12,16-17H2,1H3/p+1/t18?,19-,25-,31?/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	0.100	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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