BindingDB logo
myBDB logout

BDBM50369939 CHEMBL609774

SMILES: Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=QGZRXXNUTHHOES-GSTYMQATSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369939   
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)		BDBM50369939
PNG
(CHEMBL609774)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:12.19,wD:15.18,13.15,TLB:19:20:22:25.26.24,THB:27:28:22:25.26.24,27:25:22:20.28.29,24:23:20:25.27.26,24:25:20:23.22.29,(17.28,-1.3,;17.3,-2.84,;18.64,-3.59,;18.64,-5.13,;17.3,-5.88,;15.98,-5.13,;14.54,-5.61,;13.66,-4.36,;14.54,-3.12,;15.98,-3.59,;13.52,-6.72,;12.25,-5.92,;11.07,-6.88,;11.6,-8.31,;10.68,-9.71,;13.14,-8.21,;14.19,-9.49,;9.58,-6.53,;9.14,-5.06,;8.52,-7.64,;7.07,-7.22,;5.81,-7.32,;4.51,-8.59,;3.26,-7.7,;1.79,-6.2,;2.3,-4.16,;2.87,-6.18,;4.43,-4.16,;5.81,-6.3,;4.59,-7.55,)|
Show InChI InChI=1S/C20H26N6O4/c21-17-13-18(23-6-22-17)26(7-24-13)20-15(28)14(27)16(30-20)19(29)25-12-10-2-8-1-9(4-10)5-11(12)3-8/h6-12,14-16,20,27-28H,1-5H2,(H,25,29)(H2,21,22,23)/t8?,9?,10?,11?,12?,14-,15+,16-,20?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.00E+3n/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