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SMILES: OCCC1CCCCN1c1ccnc2cc(CC34CC5CC(CC(C5)C3)C4)nn12

InChI Key: InChIKey=BIAUJKSNQDGETN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 360713   
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
Gamma-aminobutyric acid type B receptor subunit 2


(Rattus norvegicus)		BDBM360713
PNG
(2-{1-[5-methyl-2-(tricyclo[3.3.1.13′]dec-1-y...)
Show SMILES OCCC1CCCCN1c1ccnc2cc(CC34CC5CC(CC(C5)C3)C4)nn12 |THB:22:23:20.21.26:18,22:21:18:24.23.25,25:23:20:26.17.18,25:17:20:24.23.22|
Show InChI InChI=1S/C24H34N4O/c29-8-5-21-3-1-2-7-27(21)23-4-6-25-22-12-20(26-28(22)23)16-24-13-17-9-18(14-24)11-19(10-17)15-24/h4,6,12,17-19,21,29H,1-3,5,7-11,13-16H2
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PC cid
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US Patent
n/an/an/an/a 1.08E+3n/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...

US Patent US9828381 (2017)


BindingDB Entry DOI: 10.7270/Q21C205Q
More data for this
Ligand-Target Pair