BDBM50427130 CHEMBL2323447

SMILES: CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1

InChI Key: InChIKey=DLIFIQGFJYIOIZ-YHUYYLMFSA-N

Data: 2 KI

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 2 hits for monomerid = 50427130   

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 (RAT)	BDBM50427130 (CHEMBL2323447) Show SMILES CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1 |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3| Show InChI InChI=1S/C17H21NO4/c1-11(19)21-16-9-13-8-14(10-15(16)18(13)2)22-17(20)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3/t13-,14-,15-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic M3 receptor in Sprague-Dawley rat submandibulary gland after 60 mins				Bioorg Med Chem 21: 1234-9 (2013) Article DOI: 10.1016/j.bmc.2012.12.052 BindingDB Entry DOI: 10.7270/Q2DF6SHB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50427130 (CHEMBL2323447) Show SMILES CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1 |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3| Show InChI InChI=1S/C17H21NO4/c1-11(19)21-16-9-13-8-14(10-15(16)18(13)2)22-17(20)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3/t13-,14-,15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic M2 receptor in Sprague-Dawley rat left atria after 60 mins				Bioorg Med Chem 21: 1234-9 (2013) Article DOI: 10.1016/j.bmc.2012.12.052 BindingDB Entry DOI: 10.7270/Q2DF6SHB
					More data for this Ligand-Target Pair