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BDBM50237719 CHEMBL4071403

SMILES: Fc1cccc(N\C(NCC23CC4CC(CC(C4)C2)C3)=N\C#N)c1

InChI Key: InChIKey=USDKQVVJCSSRPA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50237719   
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))		BDBM50237719
PNG
(CHEMBL4071403)
Show SMILES Fc1cccc(N\C(NCC23CC4CC(CC(C4)C2)C3)=N\C#N)c1 |TLB:9:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C19H23FN4/c20-16-2-1-3-17(7-16)24-18(23-12-21)22-11-19-8-13-4-14(9-19)6-15(5-13)10-19/h1-3,7,13-15H,4-6,8-11H2,(H2,22,23,24)
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Similars
Article
PubMed
n/an/a 186n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2

Eur J Med Chem 130: 433-439 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.060
BindingDB Entry DOI: 10.7270/Q2SJ1NW5
More data for this
Ligand-Target Pair