Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1/M2/M3/M4/M5' and Ligand = 'BDBM50453074'   

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/M2/M3/M4/M5 (RAT)	BDBM50453074 (CHEMBL4215958) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCC(=O)NCCc1ccc(O)c(c1)[C@H](CCN(C(C)C)C(C)C)c1ccccc1)OC(=O)CCCCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C89H160N3O20P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-47-88(96)109-76-82(112-89(97)48-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)77-111-113(98,99)110-74-73-108-72-71-107-70-69-106-68-67-105-66-65-104-64-63-103-62-61-102-60-59-101-58-57-100-56-54-91-87(95)46-40-36-39-45-86(94)90-53-51-80-49-50-85(93)84(75-80)83(81-43-37-35-38-44-81)52-55-92(78(3)4)79(5)6/h35,37-38,43-44,49-50,75,78-79,82-83,93H,7-34,36,39-42,45-48,51-74,76-77H2,1-6H3,(H,90,94)(H,91,95)(H,98,99)/t82-,83-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
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