BDBM50095679 2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hydroxy-benzyl)-piperidin-4-yl]-2-phenyl-acetamide::CHEMBL145913
SMILES: Oc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
InChI Key: InChIKey=SRNHSTWHMJIPBN-NLFFAJNJSA-N
Data: 3 KI
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 M1 (Homo sapiens (Human)) | BDBM50095679 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hyd...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | 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)) | BDBM50095679 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hyd...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.40 | 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)) | BDBM50095679 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hyd...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 37 | 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 |