BDBM50110525 4-(4-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazin-1-yl)-piperidine-1-carboxylic acid ethylamide::CHEMBL163887

SMILES: CCNC(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1

InChI Key: InChIKey=VDIOPGCRFGFABO-RTWAWAEBSA-N

Data: 1 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 1 hit for monomerid = 50110525   

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 M2 (Homo sapiens (Human))	BDBM50110525 (4-(4-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-...) Show SMILES CCNC(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1 Show InChI InChI=1S/C28H38N4O5S/c1-4-29-28(33)30-13-11-23(12-14-30)31-15-16-32(20(2)18-31)21(3)22-5-7-24(8-6-22)38(34,35)25-9-10-26-27(17-25)37-19-36-26/h5-10,17,20-21,23H,4,11-16,18-19H2,1-3H3,(H,29,33)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against human cloned Muscarinic acetylcholine receptor M2.				Bioorg Med Chem Lett 12: 791-4 (2002) BindingDB Entry DOI: 10.7270/Q2VH5N5J
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