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Compile Data Set for Download or QSAR

Found 12 hits of ic50 data for polymerid = 49001113   
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
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50388783
PNG
(CHEMBL2062565)
Show SMILES CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C19H16N8O/c1-11(28)23-14-6-16-15(21-10-14)4-5-26(16)17-7-18(24-13-2-3-13)27-19(25-17)12(8-20)9-22-27/h4-7,9-10,13,24H,2-3H2,1H3,(H,23,28)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HipK2


ACS Med Chem Lett 3: 278-283 (2012)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50388786
PNG
(CHEMBL2062563)
Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C20H17N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,6-9,11,15,24H,4-5H2,1H3,(H,23,28)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HipK2


ACS Med Chem Lett 3: 278-283 (2012)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50437434
PNG
(CHEMBL2409175)
Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C
Show InChI InChI=1S/C19H19N7O/c1-11-3-4-15(7-16(11)22-12(2)27)23-17-8-18(24-14-5-6-14)26-19(25-17)13(9-20)10-21-26/h3-4,7-8,10,14,24H,5-6H2,1-2H3,(H,22,27)(H,23,25)
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AstraZeneca , Oncology Innovative Medicines Unit, 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.

Curated by ChEMBL


Assay Description
Inhibition of Hipk-2 (unknown origin)


ACS Med Chem Lett 4: 800-5 (2013)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50172243
PNG
(CHEMBL3103192)
Show SMILES CN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
Show InChI InChI=1S/C21H25N9O/c1-13(31)25-17-9-16(5-6-18(17)29(2)8-7-22)26-19-10-20(27-15-3-4-15)30-21(28-19)14(11-23)12-24-30/h5-6,9-10,12,15,27H,3-4,7-8,22H2,1-2H3,(H,25,31)(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Hipk2 (unknown origin) by quantitative PCR


Citation and Details
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50388782
PNG
(CHEMBL2062564)
Show SMILES CC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C19H16N8O/c1-11(28)23-15-3-2-12-9-21-26(16(12)6-15)18-7-17(24-14-4-5-14)27-19(25-18)13(8-20)10-22-27/h2-3,6-7,9-10,14,24H,4-5H2,1H3,(H,23,28)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HipK2


ACS Med Chem Lett 3: 278-283 (2012)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50388784
PNG
(CHEMBL2062575)
Show SMILES CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12
Show InChI InChI=1S/C22H24N8O/c1-15(31)26-18-6-5-16-7-10-29(19(16)11-18)21-12-20(24-8-4-9-28(2)3)30-22(27-21)17(13-23)14-25-30/h5-7,10-12,14,24H,4,8-9H2,1-3H3,(H,26,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of HipK2


ACS Med Chem Lett 3: 278-283 (2012)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM81551
PNG
(Furan thiazolidinediones, A64)
Show SMILES N=C1NC(=O)\C(S1)=C/c1c[nH]c(=O)c(c1)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C18H18N6O2S/c19-18-23-17(26)14(27-18)8-11-7-13(16(25)22-9-11)12-1-2-15(21-10-12)24-5-3-20-4-6-24/h1-2,7-10,20H,3-6H2,(H,22,25)(H2,19,23,26)/b14-8+
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n/an/a 74 9.5n/an/an/an/an/a



Harvard Medical School



Assay Description
In vitro biochemical assays were performed in parallel to determine the most potent tool compound.


Chem Biol 18: 868-79 (2011)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50388781
PNG
(CHEMBL2062585)
Show SMILES CC(=O)Nc1ccc2n(CCC(O)=O)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1
Show InChI InChI=1S/C23H21N7O3/c1-13(31)26-16-4-5-20-17(8-16)18(12-29(20)7-6-22(32)33)19-9-21(27-15-2-3-15)30-23(28-19)14(10-24)11-25-30/h4-5,8-9,11-12,15,27H,2-3,6-7H2,1H3,(H,26,31)(H,32,33)
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n/an/a 570n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HipK2


ACS Med Chem Lett 3: 278-283 (2012)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50094895
PNG
(1,4-diamino-9,10-anthraquinone | 1,4-diamino-anthr...)
Show SMILES Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of HIPK2


Bioorg Med Chem Lett 18: 5672-5 (2008)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(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 HIPK2 using MBP as substrate


Citation and Details
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50429867
PNG
(CHEMBL2333365)
Show SMILES Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Show InChI InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of HIPK2 (unknown origin)


J Med Chem 56: 2218-34 (2013)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (HIPK2)


(Homo sapiens (Human))
BDBM50001733
PNG
(CHEMBL3133821)
Show SMILES Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C17H13N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,21H,(H2,18,19,20)
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Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human HIPK2


Bioorg Med Chem Lett 24: 1948-51 (2014)

More data for this
Ligand-Target Pair