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BDBM360701 US9828381, 2-19

SMILES: CC(c1cc2nc(C)cc(N[C@H]3C[C@H](O)C3)n2n1)c1ccc(Cl)cc1

InChI Key: InChIKey=UHOZQKAWOKVDGA-KEEBWKFESA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 360701   
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
GABA B receptor


(Rattus norvegicus)		BDBM360701
PNG
(US9828381, 2-19)
Show SMILES CC(c1cc2nc(C)cc(N[C@H]3C[C@H](O)C3)n2n1)c1ccc(Cl)cc1 |r,wU:13.13,wD:11.10,(-3.48,-2.64,;-2.71,-1.3,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;5.2,.24,;3.86,-2.07,;2.53,-2.84,;2.53,-4.38,;1.2,-5.15,;-.29,-4.75,;-.69,-6.24,;-2.02,-7.01,;.8,-6.64,;1.2,-2.07,;-.27,-2.55,;-3.48,.03,;-2.71,1.36,;-3.48,2.7,;-5.02,2.7,;-5.79,4.03,;-5.79,1.36,;-5.02,.03,)|
Show InChI InChI=1S/C19H21ClN4O/c1-11-7-18(22-15-8-16(25)9-15)24-19(21-11)10-17(23-24)12(2)13-3-5-14(20)6-4-13/h3-7,10,12,15-16,22,25H,8-9H2,1-2H3/t12?,15-,16-
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.31E+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