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BDBM50104023 CHEMBL274496::Phosphoric acid mono-[2-(2-chloro-6-methylamino-purin-9-ylmethyl)-3-phosphonooxymethyl-cyclopropylmethyl] ester

SMILES: CNc1nc(Cl)nc2n(CC3[C@H](COP(O)(O)=O)[C@H]3COP(O)(O)=O)cnc12

InChI Key: InChIKey=HXASCSAZFAJEGQ-YUMQZZPRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104023   
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)
BDBM50104023
PNG
(CHEMBL274496 | Phosphoric acid mono-[2-(2-chloro-6...)
Show SMILES CNc1nc(Cl)nc2n(CC3[C@H](COP(O)(O)=O)[C@H]3COP(O)(O)=O)cnc12
Show InChI InChI=1S/C12H18ClN5O8P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)2-6-7(3-25-27(19,20)21)8(6)4-26-28(22,23)24/h5-8H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)/t7-,8-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes


Citation and Details
More data for this
Ligand-Target Pair