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BDBM50409303 CHEMBL2092773

SMILES: C[C@H]1CC[C@H](CC1)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=RTKWIDBXPQNBNM-YQYAWQTKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50409303   
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
G protein-coupled receptor 80


(Rattus norvegicus)		BDBM50409303
PNG
(CHEMBL2092773)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,wU:12.18,10.10,4.7,1.0,wD:13.14,15.17,(-5.64,-3.71,;-4.16,-3.95,;-3.13,-2.74,;-1.62,-3.03,;-1.11,-4.47,;-2.11,-5.66,;-3.6,-5.37,;.43,-4.75,;1.43,-3.58,;.87,-2.12,;2.96,-3.86,;4.08,-2.81,;5.43,-3.58,;5.1,-5.07,;6.12,-6.22,;3.57,-5.21,;2.78,-6.54,;6.47,-2.43,;5.54,-1.19,;6.47,.07,;7.92,-.4,;9.27,.35,;9.27,1.88,;10.59,-.4,;10.59,-1.95,;9.27,-2.74,;7.92,-1.95,)|
Show InChI InChI=1S/C17H24N6O4/c1-8-2-4-9(5-3-8)22-16(26)13-11(24)12(25)17(27-13)23-7-21-10-14(18)19-6-20-15(10)23/h6-9,11-13,17,24-25H,2-5H2,1H3,(H,22,26)(H2,18,19,20)/t8-,9+,11-,12+,13-,17+/m0/s1
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Similars
PubMed
 55.6n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes

J Med Chem 44: 208-14 (2001)


BindingDB Entry DOI: 10.7270/Q2H41S5S
More data for this
Ligand-Target Pair