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BDBM50369951 CHEMBL609179

SMILES: Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC12CC3CC(CC3C1)C2

InChI Key: InChIKey=PXJOPVBSHVHQCP-BCULZPEKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369951   
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)		BDBM50369951
PNG
(CHEMBL609179)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC12CC3CC(CC3C1)C2 |r,wU:12.19,wD:15.18,13.15,TLB:21:20:22.23:25,23:24:27:22.21,19:20:22.23:25,THB:21:22:25:20.27.28,23:22:27:24.25.28,(14.56,-1.07,;14.59,-2.62,;15.94,-3.39,;15.94,-4.93,;14.59,-5.72,;13.23,-4.95,;11.77,-5.42,;10.88,-4.16,;11.77,-2.92,;13.23,-3.39,;10.74,-6.56,;9.46,-5.74,;8.24,-6.72,;8.8,-8.16,;7.96,-9.46,;10.34,-8.06,;11.32,-9.25,;6.73,-6.37,;6.28,-4.88,;5.68,-7.47,;4.32,-7.5,;4.11,-8.82,;2.78,-9,;1.83,-9.94,;.64,-9.31,;.99,-8.02,;2.18,-7.81,;3.13,-6.88,;1.9,-6.86,)|
Show InChI InChI=1S/C19H24N6O4/c20-15-11-16(22-6-21-15)25(7-23-11)18-13(27)12(26)14(29-18)17(28)24-19-3-8-1-9(4-19)10(2-8)5-19/h6-10,12-14,18,26-27H,1-5H2,(H,24,28)(H2,20,21,22)/t8?,9?,10?,12-,13+,14-,18?,19?/m0/s1
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PubMed
 833n/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