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Compile Data Set for Download or QSAR

Found 15 hits of non-affinity data for polymerid = 1662   
Target
(Institution)
LigandTarget
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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29280
PNG
(triazole, 4b)
Show SMILES CCSc1n[nH]c(=O)n1-c1ccccc1
Show InChI InChI=1S/C10H11N3OS/c1-2-15-10-12-11-9(14)13(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,14)
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n/an/an/an/an/an/an/a7.522



Burnham Institute for Medical Research



Assay Description
Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29293
PNG
(triazole, 3k)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C11H5F2N5O3S2/c12-6-2-1-5(3-7(6)13)17-9(19)15-16-10(17)23-11-14-4-8(22-11)18(20)21/h1-4H,(H,15,19)
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n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29282
PNG
(triazole, 4d)
Show SMILES [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccccc2)s1
Show InChI InChI=1S/C12H8N4O3S2/c17-11-13-14-12(15(11)8-4-2-1-3-5-8)21-10-7-6-9(20-10)16(18)19/h1-7H,(H,13,17)
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n/an/an/an/an/an/an/a7.522



Burnham Institute for Medical Research



Assay Description
Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29279
PNG
(triazole, 4a)
Show SMILES CCCCSc1n[nH]c(=O)n1-c1ccccc1
Show InChI InChI=1S/C12H15N3OS/c1-2-3-9-17-12-14-13-11(16)15(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,16)
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n/an/an/an/an/an/an/a7.522



Burnham Institute for Medical Research



Assay Description
Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29308
PNG
(dithioether 1,3,4-thiadiazole, 8a)
Show SMILES C(Sc1nnc(SCc2ccccc2)s1)c1ccccc1
Show InChI InChI=1S/C16H14N2S3/c1-3-7-13(8-4-1)11-19-15-17-18-16(21-15)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2
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n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29280
PNG
(triazole, 4b)
Show SMILES CCSc1n[nH]c(=O)n1-c1ccccc1
Show InChI InChI=1S/C10H11N3OS/c1-2-15-10-12-11-9(14)13(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,14)
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PubMed
n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29281
PNG
(triazole, 4c)
Show SMILES O=c1[nH]nc(SCc2ccccc2)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H15N3O3S/c21-16-18-19-17(24-11-12-4-2-1-3-5-12)20(16)13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10H,8-9,11H2,(H,18,21)
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n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29282
PNG
(triazole, 4d)
Show SMILES [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccccc2)s1
Show InChI InChI=1S/C12H8N4O3S2/c17-11-13-14-12(15(11)8-4-2-1-3-5-8)21-10-7-6-9(20-10)16(18)19/h1-7H,(H,13,17)
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n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29309
PNG
(dithioether 1,3,4-thiadiazole, 8b)
Show SMILES Fc1ccc(CSc2nnc(SCc3ccc(F)cc3)s2)cc1
Show InChI InChI=1S/C16H12F2N2S3/c17-13-5-1-11(2-6-13)9-21-15-19-20-16(23-15)22-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2
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n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29310
PNG
(dithioether 1,3,4-thiadiazole, 8c)
Show SMILES COc1ccc(CSc2nnc(SCc3ccc(OC)cc3)s2)cc1
Show InChI InChI=1S/C18H18N2O2S3/c1-21-15-7-3-13(4-8-15)11-23-17-19-20-18(25-17)24-12-14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3
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n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29311
PNG
(dithioether 1,3,4-thiadiazole, 8d)
Show SMILES [O-][N+](=O)c1cccc(CSc2nnc(SCc3cccc(c3)[N+]([O-])=O)s2)c1
Show InChI InChI=1S/C16H12N4O4S3/c21-19(22)13-5-1-3-11(7-13)9-25-15-17-18-16(27-15)26-10-12-4-2-6-14(8-12)20(23)24/h1-8H,9-10H2
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n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29312
PNG
(dithioether 1,3,4-thiadiazole, 8e)
Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(SCc3ccc(cc3)[N+]([O-])=O)s2)cc1
Show InChI InChI=1S/C16H12N4O4S3/c21-19(22)13-5-1-11(2-6-13)9-25-15-17-18-16(27-15)26-10-12-3-7-14(8-4-12)20(23)24/h1-8H,9-10H2
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n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29316
PNG
(2-amino-1,3,4-thiadiazole, 10)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(NC(=O)c3ccc(F)cc3)s2)s1
Show InChI InChI=1S/C12H6FN5O3S3/c13-7-3-1-6(2-4-7)9(19)15-10-16-17-12(23-10)24-11-14-5-8(22-11)18(20)21/h1-5H,(H,15,16,19)
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n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29279
PNG
(triazole, 4a)
Show SMILES CCCCSc1n[nH]c(=O)n1-c1ccccc1
Show InChI InChI=1S/C12H15N3OS/c1-2-3-9-17-12-14-13-11(16)15(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,16)
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PubMed
n/an/an/an/an/an/an/a7.80



Burnham Institute for Medical Research



Assay Description
Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29281
PNG
(triazole, 4c)
Show SMILES O=c1[nH]nc(SCc2ccccc2)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H15N3O3S/c21-16-18-19-17(24-11-12-4-2-1-3-5-12)20(16)13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10H,8-9,11H2,(H,18,21)
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n/an/an/an/an/an/an/a7.522



Burnham Institute for Medical Research



Assay Description
Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...


J Med Chem 52: 1943-52 (2009)

More data for this
Ligand-Target Pair