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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50196224'   
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)		BDBM50196224
PNG
(CHEMBL214574 | S-(+)-2beta-{[4-(4'-nitrophenyl)but...)
Show SMILES CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(cc1)[N+]([O-])=O)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:25:23:1:3.4|
Show InChI InChI=1S/C32H34F2N2O5/c1-35-27-17-18-29(35)28(20-40-31(37)4-2-3-21-5-15-26(16-6-21)36(38)39)30(19-27)41-32(22-7-11-24(33)12-8-22)23-9-13-25(34)14-10-23/h5-16,27-30,32H,2-4,17-20H2,1H3/t27?,28-,29?,30+/m1/s1
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Article
PubMed
 708n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from M1 receptor in Sprague-Dawley rat brain

J Med Chem 49: 6391-9 (2006)


Article DOI: 10.1021/jm060762q
BindingDB Entry DOI: 10.7270/Q2WD41D4
More data for this
Ligand-Target Pair