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PubMed code 25638496

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50118225
PNG
(ARL 69931MX | Adenosine triphosphate derivative | ...)
Show SMILES CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of ADP-induced aggregation preincubated for 5 mins followed by...


Bioorg Med Chem 23: 3880-906 (2015)


Article DOI: 10.1016/j.bmc.2014.12.034
BindingDB Entry DOI: 10.7270/Q2MC91S4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50084140
PNG
(4-((S)-Amino-carboxy-methyl)-3-methyl-benzoic acid...)
Show SMILES Cc1cc(ccc1[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
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antibodypedia
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Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR1alpha expressed in syrian hamster AV-12 cells assessed as inhibition of quisqualate-induced phosphoinos...


Bioorg Med Chem 23: 3880-906 (2015)


Article DOI: 10.1016/j.bmc.2014.12.034
BindingDB Entry DOI: 10.7270/Q2MC91S4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%