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BDBM50370299 CHEMBL4169645

SMILES: N[C@H]1CCN(Cc2ccc(Cl)c(c2)C(=O)NCC2C3CC4CC(C3)CC2C4)C1

InChI Key: InChIKey=LBKGGVDLKAHHON-WLGSGIEKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50370299   
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
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50370299
PNG
(CHEMBL4169645)
Show SMILES N[C@H]1CCN(Cc2ccc(Cl)c(c2)C(=O)NCC2C3CC4CC(C3)CC2C4)C1 |r,wU:1.0,TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(18.99,-10.68,;17.45,-10.69,;16.69,-12.03,;15.18,-11.72,;15,-10.2,;13.66,-9.44,;13.64,-7.9,;14.97,-7.12,;14.95,-5.57,;13.6,-4.82,;13.58,-3.28,;12.29,-5.61,;12.3,-7.15,;10.95,-4.85,;10.93,-3.31,;9.63,-5.64,;8.28,-4.88,;6.96,-5.67,;6.95,-7.21,;5.54,-7.55,;4.21,-7.06,;3.01,-8.35,;4.52,-7.93,;5.93,-8.49,;4.52,-6.33,;5.56,-5.09,;4.2,-5.57,;16.4,-9.55,)|
Show InChI InChI=1S/C23H32ClN3O/c24-22-2-1-14(12-27-4-3-19(25)13-27)10-20(22)23(28)26-11-21-17-6-15-5-16(8-17)9-18(21)7-15/h1-2,10,15-19,21H,3-9,11-13,25H2,(H,26,28)/t15?,16?,17?,18?,19-,21?/m0/s1
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Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair