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BDBM50453068 CHEMBL4206276

SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCOCCOCCOCCOCCOCCNC(=O)CCCCCC(=O)NCCc1ccc(O)c(c1)[C@H](CCN(C(C)C)C(C)C)c1ccccc1)OC(=O)CCCCCCCCCCCCCCCCC

InChI Key: InChIKey=OEBLNTWBBFMANI-FUGSSFFWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50453068   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Muscarinic acetylcholine receptor


(RAT)		BDBM50453068
PNG
(CHEMBL4206276)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCOCCOCCOCCOCCOCCNC(=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/C81H144N3O16P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-47-80(88)97-68-74(100-81(89)48-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)69-99-101(90,91)98-66-65-96-64-63-95-62-61-94-60-59-93-58-57-92-56-54-83-79(87)46-40-36-39-45-78(86)82-53-51-72-49-50-77(85)76(67-72)75(73-43-37-35-38-44-73)52-55-84(70(3)4)71(5)6/h35,37-38,43-44,49-50,67,70-71,74-75,85H,7-34,36,39-42,45-48,51-66,68-69H2,1-6H3,(H,82,86)(H,83,87)(H,90,91)/t74-,75-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/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
More data for this
Ligand-Target Pair