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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 50001413,50001427   
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
RNase L


(Homo sapiens)
BDBM50373177
PNG
(CHEMBL404038)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
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n/an/an/a 0.0400n/an/an/an/an/a



Lerner Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant recombinant RNase L


Proc Natl Acad Sci USA 104: 9585-90 (2007)


Article DOI: 10.1073/pnas.0700590104
BindingDB Entry DOI: 10.7270/Q2G161PZ
More data for this
Ligand-Target Pair
RNase L


(Homo sapiens)
BDBM50373177
PNG
(CHEMBL404038)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
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n/an/an/a 0.220n/an/an/an/an/a



Lerner Research Institute

Curated by ChEMBL


Assay Description
Displacement of 5'-phosphorylated, 2',5'-oligoadenylate from human recombinant RNase L assessed as decrease in resonance by surface plasma resonance


Proc Natl Acad Sci USA 104: 9585-90 (2007)


Article DOI: 10.1073/pnas.0700590104
BindingDB Entry DOI: 10.7270/Q2G161PZ
More data for this
Ligand-Target Pair
RNase L


(Homo sapiens)
BDBM50373176
PNG
(C-5950331 | CHEMBL259633)
Show SMILES Oc1cccc(c1)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2S/c19-10-5-3-4-9(8-10)14-17-15(20)13-11-6-1-2-7-12(11)21-16(13)18-14/h3-5,8,19H,1-2,6-7H2,(H,17,18,20)
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n/an/an/a 1.20E+4n/an/an/an/an/a



Lerner Research Institute

Curated by ChEMBL


Assay Description
Displacement of 5'-phosphorylated, 2',5'-oligoadenylate from human recombinant RNase L assessed as decrease in resonance by surface plasma resonance


Proc Natl Acad Sci USA 104: 9585-90 (2007)


Article DOI: 10.1073/pnas.0700590104
BindingDB Entry DOI: 10.7270/Q2G161PZ
More data for this
Ligand-Target Pair
RNase L


(Homo sapiens)
BDBM50373166
PNG
(CHEMBL259819)
Show SMILES CCOC(=O)C1C(=O)C(SC1=Nc1ccccc1)=Cc1cccc(O)c1
Show InChI InChI=1S/C20H17NO4S/c1-2-25-20(24)17-18(23)16(12-13-7-6-10-15(22)11-13)26-19(17)21-14-8-4-3-5-9-14/h3-12,17,22H,2H2,1H3
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n/an/an/a 1.80E+4n/an/an/an/an/a



Lerner Research Institute

Curated by ChEMBL


Assay Description
Displacement of 5'-phosphorylated, 2',5'-oligoadenylate from human recombinant RNase L assessed as decrease in resonance by surface plasma resonance


Proc Natl Acad Sci USA 104: 9585-90 (2007)


Article DOI: 10.1073/pnas.0700590104
BindingDB Entry DOI: 10.7270/Q2G161PZ
More data for this
Ligand-Target Pair