BDBM339881 US9757383, Example 4::trans-4-[{3-[5-({[(2R)-2-hydroxy-2-(8-hydroxy-2-ox-1,2-dihydroquinolin-5-yl)ethyl]amino}methyl)-1H-indol-1-yl]propyl}(methyl)amino]cyclohexyl hydroxy(di-2-thienyl)acetate
SMILES: CN(CCCn1ccc2cc(CNC[C@H](O)c3ccc(O)c4NCC=Cc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
InChI Key: InChIKey=HIUWSDVYOJMZKY-BQXSUFNCSA-N
Data: 2 IC50
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)) | BDBM339881 (US9757383, Example 4 | trans-4-[{3-[5-({[(2R)-2-hy...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Almirall, S.A. US Patent | Assay Description The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1... | US Patent US9757383 (2017) BindingDB Entry DOI: 10.7270/Q2HX1FSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM339881 (US9757383, Example 4 | trans-4-[{3-[5-({[(2R)-2-hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Almirall, S.A. US Patent | Assay Description The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov... | US Patent US9757383 (2017) BindingDB Entry DOI: 10.7270/Q2HX1FSN | |||||||||||
More data for this Ligand-Target Pair |