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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50076088'   
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 M2


(Homo sapiens (Human))		BDBM50076088
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[3-(Adamantan-1-ylamino)...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCNC34CC5CC(CC(C5)C3)C4)[C@@H]12 |TLB:25:20:27:24.26.23,25:24:27:20.19.21,THB:23:24:19:22.27.21,23:22:19:24.26.25|
Show InChI InChI=1S/C26H41NO2/c1-16-24-22(21-6-3-2-5-20(21)12-23(24)25(28)29-16)7-4-8-27-26-13-17-9-18(14-26)11-19(10-17)15-26/h16-24,27H,2-15H2,1H3/t16-,17?,18?,19?,20+,21-,22+,23-,24+,26?/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars
PubMed
 26n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human muscarinic M2 receptor in CHO-KI cells using [3H]- QNB as radioligand

Bioorg Med Chem Lett 9: 901-6 (1999)


BindingDB Entry DOI: 10.7270/Q2J102CP
More data for this
Ligand-Target Pair