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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'retat' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 1


(Homo sapiens (Human))
BDBM50118229
PNG
(CHEMBL129841 | MRS 2179)
Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
Show InChI InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Affinity at P2X purinoceptor 1 (P2X1) and the value is expressed as IC50


J Med Chem 45: 962-72 (2002)


BindingDB Entry DOI: 10.7270/Q2ST7QK0
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM50118229
PNG
(CHEMBL129841 | MRS 2179)
Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
Show InChI InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
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n/an/a 1.29E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Affinity at P2X purinoceptor 3 (P2X3) and the value is expressed as IC50


J Med Chem 45: 962-72 (2002)


BindingDB Entry DOI: 10.7270/Q2ST7QK0
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50409686
PNG
(CHEMBL173068)
Show SMILES CNc1nc(C)nc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C12H19N5O9P2/c1-6-15-11(13-2)10-12(16-6)17(5-14-10)9-3-7(26-28(21,22)23)8(25-9)4-24-27(18,19)20/h5,7-9H,3-4H2,1-2H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)
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n/an/an/a 77.6n/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
pA2 value was evaluated against P2Y purinoceptor 1


J Med Chem 45: 962-72 (2002)


BindingDB Entry DOI: 10.7270/Q2ST7QK0
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50118229
PNG
(CHEMBL129841 | MRS 2179)
Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
Show InChI InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
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PubMed
n/an/an/a 282n/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
pA2 value was evaluated against P2Y purinoceptor 1


J Med Chem 45: 962-72 (2002)


BindingDB Entry DOI: 10.7270/Q2ST7QK0
More data for this
Ligand-Target Pair