BDBM50095654 2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-pent-3-enyl)-piperidin-4-yl]-2-phenyl-acetamide::CHEMBL150219
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1
InChI Key: InChIKey=KYYKFSMOYWOWFU-YKSBVNFPSA-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 M3 (Homo sapiens (Human)) | BDBM50095654 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(4-met...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6.20 | 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 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 M1 (Homo sapiens (Human)) | BDBM50095654 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(4-met...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 22 | 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 M2 (Homo sapiens (Human)) | BDBM50095654 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(4-met...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.00E+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 |