Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.5 BDBM50095687

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

Found 3 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 (Homo sapiens (Human))	BDBM50095687 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hyd...) Show SMILES OCc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1 Show InChI InChI=1S/C26H32F2N2O3/c27-25(28)12-9-22(16-25)26(33,21-7-2-1-3-8-21)24(32)29-23-10-13-30(14-11-23)17-19-5-4-6-20(15-19)18-31/h1-8,15,22-23,31,33H,9-14,16-18H2,(H,29,32)/t22-,26+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells				J Med Chem 43: 5017-29 (2001) BindingDB Entry DOI: 10.7270/Q2HM57P7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50095687 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hyd...) Show SMILES OCc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1 Show InChI InChI=1S/C26H32F2N2O3/c27-25(28)12-9-22(16-25)26(33,21-7-2-1-3-8-21)24(32)29-23-10-13-30(14-11-23)17-19-5-4-6-20(15-19)18-31/h1-8,15,22-23,31,33H,9-14,16-18H2,(H,29,32)/t22-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells				J Med Chem 43: 5017-29 (2001) BindingDB Entry DOI: 10.7270/Q2HM57P7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50095687 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hyd...) Show SMILES OCc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1 Show InChI InChI=1S/C26H32F2N2O3/c27-25(28)12-9-22(16-25)26(33,21-7-2-1-3-8-21)24(32)29-23-10-13-30(14-11-23)17-19-5-4-6-20(15-19)18-31/h1-8,15,22-23,31,33H,9-14,16-18H2,(H,29,32)/t22-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M2 expressed in CHO cells				J Med Chem 43: 5017-29 (2001) BindingDB Entry DOI: 10.7270/Q2HM57P7
					More data for this Ligand-Target Pair