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BDBM50453072 CHEMBL4207504

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

InChI Key: InChIKey=LPAYERDGPPEKEY-WOTDMVFCSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50453072   
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)		BDBM50453072
PNG
(CHEMBL4207504)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCOCCNC(=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/C73H128N3O12P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-47-72(80)85-60-66(88-73(81)48-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)61-87-89(82,83)86-58-57-84-56-54-75-71(79)46-40-36-39-45-70(78)74-53-51-64-49-50-69(77)68(59-64)67(65-43-37-35-38-44-65)52-55-76(62(3)4)63(5)6/h35,37-38,43-44,49-50,59,62-63,66-67,77H,7-34,36,39-42,45-48,51-58,60-61H2,1-6H3,(H,74,78)(H,75,79)(H,82,83)/t66-,67-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 123n/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