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Articleid 50028998

Compile data set for download or QSAR
Found 3 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


(RAT)		BDBM50280621
PNG
(4-{2-[4-(10-Amino-decyl)-piperazin-1-yl]-acetyl}-3...)
Show SMILES Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCN)CC1)c1ccccc1NC2=O
Show InChI InChI=1S/C28H41N5O2S/c1-22-27-23(21-36-22)28(35)30-24-12-8-9-13-25(24)33(27)26(34)20-32-18-16-31(17-19-32)15-11-7-5-3-2-4-6-10-14-29/h8-9,12-13,21H,2-7,10-11,14-20,29H2,1H3,(H,30,35)
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Article
 2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound was determined by the inhibition of [3H]-N-methylscopolamine (NMS) binding to m1 receptor of transfected A9L cell...

Bioorg Med Chem Lett 2: 845-850 (1992)


Article DOI: 10.1016/S0960-894X(00)80542-9
BindingDB Entry DOI: 10.7270/Q2F18ZMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50280621
PNG
(4-{2-[4-(10-Amino-decyl)-piperazin-1-yl]-acetyl}-3...)
Show SMILES Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCN)CC1)c1ccccc1NC2=O
Show InChI InChI=1S/C28H41N5O2S/c1-22-27-23(21-36-22)28(35)30-24-12-8-9-13-25(24)33(27)26(34)20-32-18-16-31(17-19-32)15-11-7-5-3-2-4-6-10-14-29/h8-9,12-13,21H,2-7,10-11,14-20,29H2,1H3,(H,30,35)
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Article
 3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound was determined by the inhibition of [3H]-N-methylscopolamine (NMS) binding to Muscarinic acetylcholine receptor M...

Bioorg Med Chem Lett 2: 845-850 (1992)


Article DOI: 10.1016/S0960-894X(00)80542-9
BindingDB Entry DOI: 10.7270/Q2F18ZMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50280622
PNG
(1-(3-Isothiocyanato-phenyl)-3-(4-{4-[2-oxo-2-(6-ox...)
Show SMILES O=C(CN1CCN(CCCCCCCCCCNC(=S)Nc2cccc(c2)N=C=S)CC1)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C36H44N8O2S2/c45-33(44-32-17-8-7-15-30(32)35(46)41-31-16-12-19-37-34(31)44)26-43-23-21-42(22-24-43)20-10-6-4-2-1-3-5-9-18-38-36(48)40-29-14-11-13-28(25-29)39-27-47/h7-8,11-17,19,25H,1-6,9-10,18,20-24,26H2,(H,41,46)(H2,38,40,48)
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Article
n/an/a 0.150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated for irreversible inhibition at rat forebrain muscarinic receptor

Bioorg Med Chem Lett 2: 845-850 (1992)


Article DOI: 10.1016/S0960-894X(00)80542-9
BindingDB Entry DOI: 10.7270/Q2F18ZMP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%