Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.4 BDBM50012337

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50012337 (5-Ethyl-11-[2-(4-methyl-piperazin-1-yl)-acetyl]-5,...) Show SMILES CCN1c2cccnc2N(C(=O)CN2CCN(C)CC2)c2ccccc2C1=O Show InChI InChI=1S/C21H25N5O2/c1-3-25-18-9-6-10-22-20(18)26(17-8-5-4-7-16(17)21(25)28)19(27)15-24-13-11-23(2)12-14-24/h4-10H,3,11-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [3H]-N-Methyl-scopolamine to muscarinic acetylcholine receptor M1 of transfected A9L cells.				J Med Chem 34: 2133-45 (1991) BindingDB Entry DOI: 10.7270/Q2SJ1JKW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50012337 (5-Ethyl-11-[2-(4-methyl-piperazin-1-yl)-acetyl]-5,...) Show SMILES CCN1c2cccnc2N(C(=O)CN2CCN(C)CC2)c2ccccc2C1=O Show InChI InChI=1S/C21H25N5O2/c1-3-25-18-9-6-10-22-20(18)26(17-8-5-4-7-16(17)21(25)28)19(27)15-24-13-11-23(2)12-14-24/h4-10H,3,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [3H]-N-Methyl-scopolamine to muscarinic acetylcholine receptor M2 of rat heart tissue membra...				J Med Chem 34: 2133-45 (1991) BindingDB Entry DOI: 10.7270/Q2SJ1JKW
					More data for this Ligand-Target Pair