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PubMed code 3806613

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50226536
PNG
(CHEMBL98190)
Show SMILES Cl.CCN(CC)CCC1COC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H27NO2.ClH/c1-3-23(4-2)16-15-18-17-25-22(21(18)24,19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-14,18H,3-4,15-17H2,1-2H3;1H
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor

J Med Chem 30: 278-85 (1987)


BindingDB Entry DOI: 10.7270/Q2GT5QCR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50226537
PNG
(CHEMBL319799)
Show SMILES Cl.[H][C@]1(CN(CC)CC)C[C@]2([H])COC(c3ccccc3)(c3ccccc3)[C@]2([H])O1 |r|
Show InChI InChI=1S/C23H29NO2.ClH/c1-3-24(4-2)16-21-15-18-17-25-23(22(18)26-21,19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-14,18,21-22H,3-4,15-17H2,1-2H3;1H/t18-,21-,22-;/m1./s1
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PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 278-85 (1987)


BindingDB Entry DOI: 10.7270/Q2GT5QCR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%