BDBM50103087 CHEMBL305026::[4-((R)-4-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazin-1-yl)-piperidin-1-yl]-(2,6-dimethyl-phenyl)-methanone
SMILES: C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
InChI Key: InChIKey=UUUTYZGDRKVSOB-FTJBHMTQSA-N
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 M2 (Homo sapiens (Human)) | BDBM50103087 (CHEMBL305026 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.800 | 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 Affinity for Muscarinic acetylcholine receptor M2 | Bioorg Med Chem Lett 11: 2143-6 (2001) BindingDB Entry DOI: 10.7270/Q2VQ320K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human)) | BDBM50103087 (CHEMBL305026 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.800 | 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 against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand | Bioorg Med Chem Lett 12: 795-8 (2002) BindingDB Entry DOI: 10.7270/Q2QR4WG8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50103087 (CHEMBL305026 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Ability of the compound to inhibit [125I]-labeled RANTES binding to C-C chemokine receptor type 5 | Bioorg Med Chem Lett 11: 2143-6 (2001) BindingDB Entry DOI: 10.7270/Q2VQ320K | |||||||||||
More data for this Ligand-Target Pair |