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Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 6095   
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 12


(Homo sapiens (Human))
BDBM50118223
PNG
(AR-C67085 | Adenosine triphosphate derivative | CH...)
Show SMILES CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C14H22Cl2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 4.57n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to P2Y12 receptor expressed in human platelets from 0.047 to 50 nM


Bioorg Med Chem Lett 15: 5450-2 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.104
BindingDB Entry DOI: 10.7270/Q2668CR0
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50589232
PNG
(CHEMBL5199350)
Show SMILES [3H]C([3H])C([3H])([3H])CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.5n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128837
BindingDB Entry DOI: 10.7270/Q2765K8C
More data for this
Ligand-Target Pair