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BDBM50161199 CHEMBL3787675

SMILES: Cc1nc2c(Br)cccn2c1C(=O)N[C@H]1CN2CCC1CC2

InChI Key: InChIKey=QMKGXAFNTAMENM-ZDUSSCGKSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50161199   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))		BDBM50161199
PNG
(CHEMBL3787675)
Show SMILES Cc1nc2c(Br)cccn2c1C(=O)N[C@H]1CN2CCC1CC2 |r,wD:14.15,(3.88,.03,;2.65,.02,;1.76,1.23,;.3,.77,;-1.03,1.55,;-1.02,2.78,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.24,-2.69,;1.42,-3.61,;3.75,-3,;4.23,-4.46,;3.13,-5.64,;3.63,-7.17,;5.21,-7.51,;6.3,-6.31,;5.82,-4.77,;4.63,-5.26,;4.99,-6.46,)|
Show InChI InChI=1S/C16H19BrN4O/c1-10-14(21-6-2-3-12(17)15(21)18-10)16(22)19-13-9-20-7-4-11(13)5-8-20/h2-3,6,11,13H,4-5,7-9H2,1H3,(H,19,22)/t13-/m0/s1
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PC cid
PC sid
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Similars
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electr...

Eur J Med Chem 115: 94-108 (2016)


BindingDB Entry DOI: 10.7270/Q2W37Z6N
More data for this
Ligand-Target Pair