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BDBM50076458 CHEMBL42627::Phosphoric acid mono-[5-(2-hexylsulfanyl-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester

SMILES: CCCCCCSc1nc(NC)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1

InChI Key: InChIKey=BQPHCMZWQUVKCW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076458   
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
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076458
PNG
(CHEMBL42627 | Phosphoric acid mono-[5-(2-hexylsulf...)
Show SMILES CCCCCCSc1nc(NC)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C17H29N5O9P2S/c1-3-4-5-6-7-34-17-20-15(18-2)14-16(21-17)22(10-19-14)13-8-11(31-33(26,27)28)12(30-13)9-29-32(23,24)25/h10-13H,3-9H2,1-2H3,(H,18,20,21)(H2,23,24,25)(H2,26,27,28)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.37E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)

More data for this
Ligand-Target Pair