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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50118220   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50118220
PNG
((ppA)2 | A(5')p4(5')A | CHEMBL339385 | P(1),P(4)-b...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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KEGG
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PC cid
PC sid
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Article
PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p60c-src expressed in chick embryo fibroblast


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50118220
PNG
((ppA)2 | A(5')p4(5')A | CHEMBL339385 | P(1),P(4)-b...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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KEGG
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a<2.50E+5n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Partial antagonist activity at human platelet P2Y12 receptor assessed as inhibition of PGE1/ADP-mediated decrease in intra-platelet phosphorylated VA...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair