Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.5 BDBM50076084

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))	BDBM50076084 ((3S,3aR,4R,4aS,8aR,9aS)-4-[3-(3,3-Dimethyl-piperid...) Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12 Show InChI InChI=1S/C23H39NO2/c1-16-21-19(10-6-12-24-13-7-11-23(2,3)15-24)18-9-5-4-8-17(18)14-20(21)22(25)26-16/h16-21H,4-15H2,1-3H3/t16-,17+,18-,19+,20-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	224	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 human muscarinic M2 receptor in CHO-KI cells using [3H]- QNB as radioligand				Bioorg Med Chem Lett 9: 901-6 (1999) BindingDB Entry DOI: 10.7270/Q2J102CP
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50076084 ((3S,3aR,4R,4aS,8aR,9aS)-4-[3-(3,3-Dimethyl-piperid...) Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12 Show InChI InChI=1S/C23H39NO2/c1-16-21-19(10-6-12-24-13-7-11-23(2,3)15-24)18-9-5-4-8-17(18)14-20(21)22(25)26-16/h16-21H,4-15H2,1-3H3/t16-,17+,18-,19+,20-,21+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	416	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 human muscarinic M1 receptor in CHO-KI cells using [3H]- QNB as radioligand				Bioorg Med Chem Lett 9: 901-6 (1999) BindingDB Entry DOI: 10.7270/Q2J102CP
					More data for this Ligand-Target Pair