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BDBM50308334 CHEMBL591433::Di-(2-MeS)-adenosine 5',5''-P1,P4,alpha,beta-Methylene-tetraphosphate

SMILES: CSc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)CP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4cnc5c(N)nc(SC)nc45)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=IMYKEWXOYVUQIG-DADOPDODNA-J

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50308334   
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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50308334
PNG
(CHEMBL591433 | Di-(2-MeS)-adenosine 5',5''-P1,P4,a...)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)CP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4cnc5c(N)nc(SC)nc45)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1/C23H34N10O18P4S2/c1-56-22-28-16(24)10-18(30-22)32(5-26-10)20-14(36)12(34)8(48-20)3-46-52(38,39)7-53(40,41)50-55(44,45)51-54(42,43)47-4-9-13(35)15(37)21(49-9)33-6-27-11-17(25)29-23(57-2)31-19(11)33/h5-6,8-9,12-15,20-21,34-37H,3-4,7H2,1-2H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,24,28,30)(H2,25,29,31)/p-4/t8-,9-,12-,13-,14-,15-,20-,21-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 420n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at G-protein coupled P2Y1 receptor expressed in human 1321N1 cells assessed as increase in calcium by Fura2 assay


J Med Chem 53: 2472-81 (2010)


Article DOI: 10.1021/jm901621h
BindingDB Entry DOI: 10.7270/Q2DN4565
More data for this
Ligand-Target Pair