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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50354566'   
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 M3


(Homo sapiens (Human))		BDBM50354566
PNG
(CHEMBL1836647)
Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)Oc1nn(c2CCCCc12)-c1c(O)cccc1F)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,(-3.94,-14.4,;-3.93,-15.94,;-2.6,-16.71,;-1.27,-15.93,;.07,-16.7,;1.4,-15.92,;2.74,-16.69,;4.07,-15.91,;5.41,-16.68,;6.74,-15.9,;8.07,-16.67,;9.4,-15.89,;10.74,-16.66,;12.07,-15.88,;13.4,-16.65,;14.72,-15.88,;14.73,-14.34,;13.39,-13.57,;12.05,-14.35,;16.06,-13.57,;16.06,-12.03,;14.64,-11.42,;14.79,-9.89,;16.3,-9.56,;17.05,-8.23,;18.58,-8.22,;19.36,-9.55,;18.6,-10.88,;17.07,-10.88,;13.45,-9.14,;12.14,-9.94,;12.18,-11.48,;10.79,-9.2,;10.76,-7.66,;12.08,-6.86,;13.43,-7.61,;14.75,-6.82,;-5.26,-16.72,;-6.6,-15.95,;-7.93,-16.72,;-7.93,-18.27,;-9.26,-19.04,;-6.59,-19.03,;-6.59,-20.56,;-5.26,-21.34,;-5.26,-22.88,;-3.93,-20.57,;-3.93,-19.03,;-5.26,-18.27,)|
Show InChI InChI=1S/C38H50FN5O5/c39-30-12-10-14-33(46)37(30)44-31-13-7-6-11-29(31)38(42-44)49-26-19-23-43(24-20-26)22-9-5-3-1-2-4-8-21-40-25-34(47)27-15-17-32(45)36-28(27)16-18-35(48)41-36/h10,12,14-18,26,34,40,45-47H,1-9,11,13,19-25H2,(H,41,48)/t34-/m0/s1
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Similars
Article
PubMed
 2.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human M3 receptor

J Med Chem 54: 6998-7002 (2011)


Article DOI: 10.1021/jm2007535
BindingDB Entry DOI: 10.7270/Q2SJ1M03
More data for this
Ligand-Target Pair