Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 412.5 BDBM50092989

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 M2 (Homo sapiens (Human))	BDBM50092989 (1-[1-(4-Benzenesulfonyl-phenyl)-ethyl]-4-cyclohexy...) Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H32N2O2S/c1-20(25-16-18-26(19-17-25)22-8-4-2-5-9-22)21-12-14-24(15-13-21)29(27,28)23-10-6-3-7-11-23/h3,6-7,10-15,20,22H,2,4-5,8-9,16-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	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 towards the cloned human Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 10: 2255-7 (2001) BindingDB Entry DOI: 10.7270/Q2TD9WMF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50092989 (1-[1-(4-Benzenesulfonyl-phenyl)-ethyl]-4-cyclohexy...) Show SMILES CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H32N2O2S/c1-20(25-16-18-26(19-17-25)22-8-4-2-5-9-22)21-12-14-24(15-13-21)29(27,28)23-10-6-3-7-11-23/h3,6-7,10-15,20,22H,2,4-5,8-9,16-19H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	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 towards the cloned human Muscarinic acetylcholine receptor M1				Bioorg Med Chem Lett 10: 2255-7 (2001) BindingDB Entry DOI: 10.7270/Q2TD9WMF
					More data for this Ligand-Target Pair