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Compile Data Set for Download or QSAR

Found 7 hits of ic50 data for polymerid = 50004858   
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
Dual serine/threonine and tyrosine protein kinase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 31.3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RIPK5 using MBP as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Dual serine/threonine and tyrosine protein kinase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 65.2n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human RIPK5 using MBP as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Dual serine/threonine and tyrosine protein kinase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Gachon University

Curated by ChEMBL


Assay Description
Inhibition of human RIPK5 using MBP as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 453-480 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.037
BindingDB Entry DOI: 10.7270/Q2TQ650N
More data for this
Ligand-Target Pair
Dual serine/threonine and tyrosine protein kinase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Gachon University

Curated by ChEMBL


Assay Description
Inhibition of human RIPK5 using MBP as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 453-480 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.037
BindingDB Entry DOI: 10.7270/Q2TQ650N
More data for this
Ligand-Target Pair
Dual serine/threonine and tyrosine protein kinase


(Homo sapiens (Human))
BDBM50154291
PNG
(CHEMBL3775181)
Show SMILES CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H18N2O6.CH4O3S/c1-9-13(22(29)24-7-6-10(23)8-24)16-19(27)14-15(20(28)21(16)30-9)18(26)12-5-3-2-4-11(12)17(14)25;1-5(2,3)4/h2-5,10,27-28H,6-8,23H2,1H3;1H3,(H,2,3,4)/t10-;/m0./s1
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n/an/a<5.00E+3n/an/an/an/an/an/a



Russia; Mendeleyev University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human RIPK5 by flashplate based radiometric 33pan-quinase assay


Eur J Med Chem 112: 114-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.050
BindingDB Entry DOI: 10.7270/Q2VQ34K1
More data for this
Ligand-Target Pair
Dual serine/threonine and tyrosine protein kinase


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human RIPK5 using MBP substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Dual serine/threonine and tyrosine protein kinase


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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n/an/a 2.94E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human RIPK5 using MBP as substrate by [gamma33-ATP] based radiometric assay


J Med Chem 63: 1490-1510 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01317
BindingDB Entry DOI: 10.7270/Q20K2CZB
More data for this
Ligand-Target Pair