BDBM50008075 (+)-isopilocarpine::(3R,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one::3-isopilocarpine::CHEMBL91776::beta-pilocarpine

SMILES: CC[C@@H]1[C@@H](Cc2cncn2C)COC1=O

InChI Key: InChIKey=QCHFTSOMWOSFHM-WCBMZHEXSA-N

Data: 2 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 2 hits for monomerid = 50008075   

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 (RAT)	BDBM50008075 ((+)-isopilocarpine | (3R,4R)-3-ethyl-4-[(1-methyl-...) Show SMILES CC[C@@H]1[C@@H](Cc2cncn2C)COC1=O Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by ChEMBL					Assay Description Ability to displace [3H]cis--2-methyl-5-((dimethylamino)methyl)-1,3-di oxolane from muscarinic acetylcholine receptor in rat cortical tissue.				J Med Chem 35: 15-27 (1992) BindingDB Entry DOI: 10.7270/Q29022RV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50008075 ((+)-isopilocarpine | (3R,4R)-3-ethyl-4-[(1-methyl-...) Show SMILES CC[C@@H]1[C@@H](Cc2cncn2C)COC1=O Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by ChEMBL					Assay Description Ability to displace [3H]-pirenzepine (pir) from muscarinic acetylcholine receptor M1 in rat cortical tissue.				J Med Chem 35: 15-27 (1992) BindingDB Entry DOI: 10.7270/Q29022RV
					More data for this Ligand-Target Pair