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Compile Data Set for Download or QSAR

Found 45 hits of Enz. Inhib. data with enzyme = 'c-Jun N-terminal kinase, JNK' and Substrate = 'Biotin-labeled pepJIP1'   
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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29288
PNG
(triazole, 3f)
Show SMILES COc1ccc(cc1OC)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
Show InChI InChI=1S/C13H11N5O5S2/c1-22-8-4-3-7(5-9(8)23-2)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)
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PubMed
n/an/a 43n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29300
PNG
(triazole, 3r)
Show SMILES COc1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
Show InChI InChI=1S/C12H9N5O4S2/c1-21-8-4-2-7(3-5-8)16-10(18)14-15-11(16)23-12-13-6-9(22-12)17(19)20/h2-6H,1H3,(H,14,18)
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n/an/a 45n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29289
PNG
(triazole, 3g)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc3ccccc23)s1
Show InChI InChI=1S/C15H9N5O3S2/c21-13-17-18-14(25-15-16-8-12(24-15)20(22)23)19(13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,17,21)
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n/an/a 48n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29296
PNG
(triazole, 3n)
Show SMILES COc1ccccc1-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
Show InChI InChI=1S/C12H9N5O4S2/c1-21-8-5-3-2-4-7(8)16-10(18)14-15-11(16)23-12-13-6-9(22-12)17(19)20/h2-6H,1H3,(H,14,18)
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n/an/a 53n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29299
PNG
(triazole, 3q)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2C2CCCCC2)s1
Show InChI InChI=1S/C11H13N5O3S2/c17-9-13-14-10(15(9)7-4-2-1-3-5-7)21-11-12-6-8(20-11)16(18)19/h6-7H,1-5H2,(H,13,17)
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n/an/a 56n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29304
PNG
(triazole, 7d)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3cccc4ccccc34)n2Cc2ccco2)s1
Show InChI InChI=1S/C20H13N5O3S2/c26-25(27)17-11-21-20(29-17)30-19-23-22-18(24(19)12-14-7-4-10-28-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-11H,12H2
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n/an/a 57n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29286
PNG
(triazole, 3d)
Show SMILES COc1ccc(c(OC)c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
Show InChI InChI=1S/C13H11N5O5S2/c1-22-7-3-4-8(9(5-7)23-2)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)
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n/an/a 66n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29298
PNG
(triazole, 3p)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C12H6F3N5O3S2/c13-12(14,15)6-1-3-7(4-2-6)19-9(21)17-18-10(19)25-11-16-5-8(24-11)20(22)23/h1-5H,(H,17,21)
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n/an/a 75n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29302
PNG
(triazole, 7b)
Show SMILES Cn1cccc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H10Cl2N6O2S2/c1-22-6-2-3-12(22)14-20-21-15(28-16-19-8-13(27-16)24(25)26)23(14)11-5-4-9(17)7-10(11)18/h2-8H,1H3
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n/an/a 83n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29290
PNG
(triazole, 3h)
Show SMILES COc1ccc(OC)c(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
Show InChI InChI=1S/C13H11N5O5S2/c1-22-7-3-4-9(23-2)8(5-7)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)
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n/an/a 85n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29292
PNG
(triazole, 3j)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)[N+]([O-])=O)s1
Show InChI InChI=1S/C11H6N6O5S2/c18-9-13-14-10(24-11-12-5-8(23-11)17(21)22)15(9)6-1-3-7(4-2-6)16(19)20/h1-5H,(H,13,18)
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n/an/a 86n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29283
PNG
(triazole, 3a)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
Show InChI InChI=1S/C15H15N5O3S2/c1-15(2,3)9-4-6-10(7-5-9)19-12(21)17-18-13(19)25-14-16-8-11(24-14)20(22)23/h4-8H,1-3H3,(H,17,21)
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n/an/a 95n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29314
PNG
(dithioether 1,3,4-thiadiazole, 8g)
Show SMILES OC(=O)c1cnc(Sc2nnc(Sc3ncc(s3)C(O)=O)s2)s1
Show InChI InChI=1S/C10H4N4O4S5/c15-5(16)3-1-11-7(19-3)21-9-13-14-10(23-9)22-8-12-2-4(20-8)6(17)18/h1-2H,(H,15,16)(H,17,18)
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n/an/a 100n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29284
PNG
(triazole, 3b)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCOc3c2)s1
Show InChI InChI=1S/C12H7N5O5S2/c18-10-14-15-11(24-12-13-4-9(23-12)17(19)20)16(10)6-1-2-7-8(3-6)22-5-21-7/h1-4H,5H2,(H,14,18)
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n/an/a 102n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29287
PNG
(triazole, 3e)
Show SMILES COc1cc(OC)cc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
Show InChI InChI=1S/C13H11N5O5S2/c1-22-8-3-7(4-9(5-8)23-2)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)
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n/an/a 105n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29305
PNG
(triazole, 7e)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3cccs3)n2-c2ccccc2)s1
Show InChI InChI=1S/C15H9N5O2S3/c21-20(22)12-9-16-15(24-12)25-14-18-17-13(11-7-4-8-23-11)19(14)10-5-2-1-3-6-10/h1-9H
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n/an/a 107n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29301
PNG
(triazole, 7a)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3ccccc3)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C19H13N5O4S2/c25-24(26)16-11-20-19(29-16)30-18-22-21-17(12-4-2-1-3-5-12)23(18)13-6-7-14-15(10-13)28-9-8-27-14/h1-7,10-11H,8-9H2
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n/an/a 108n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29295
PNG
(triazole, 3m)
Show SMILES COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
Show InChI InChI=1S/C12H9N5O4S2/c1-21-8-4-2-3-7(5-8)16-10(18)14-15-11(16)23-12-13-6-9(22-12)17(19)20/h2-6H,1H3,(H,14,18)
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n/an/a 118n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29306
PNG
(triazole, 7f)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3ccncc3)n2-c2ccccc2)s1
Show InChI InChI=1S/C16H10N6O2S2/c23-22(24)13-10-18-16(25-13)26-15-20-19-14(11-6-8-17-9-7-11)21(15)12-4-2-1-3-5-12/h1-10H
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n/an/a 122n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29291
PNG
(triazole, 3i)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(OC(F)(F)F)cc2)s1
Show InChI InChI=1S/C12H6F3N5O4S2/c13-12(14,15)24-7-3-1-6(2-4-7)19-9(21)17-18-10(19)26-11-16-5-8(25-11)20(22)23/h1-5H,(H,17,21)
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n/an/a 130n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29307
PNG
(triazole, 7g)
Show SMILES Cn1c(Cc2nc([n-][o+]2)-c2cnccn2)nnc1Sc1ncc(s1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N9O3S2/c1-21-8(4-9-17-11(20-25-9)7-5-14-2-3-15-7)18-19-12(21)27-13-16-6-10(26-13)22(23)24/h2-3,5-6H,4H2,1H3
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n/an/a 131n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29297
PNG
(triazole, 3o)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C12H6F3N5O3S2/c13-12(14,15)6-2-1-3-7(4-6)19-9(21)17-18-10(19)25-11-16-5-8(24-11)20(22)23/h1-5H,(H,17,21)
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n/an/a 160n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29303
PNG
(triazole, 7c)
Show SMILES COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)nnc1-c1ccccc1
Show InChI InChI=1S/C18H13N5O3S2/c1-26-14-9-5-8-13(10-14)22-16(12-6-3-2-4-7-12)20-21-17(22)28-18-19-11-15(27-18)23(24)25/h2-11H,1H3
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n/an/a 168n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM26059
PNG
(5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulf...)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnnn2-c2ccccc2)s1
Show InChI InChI=1S/C10H6N6O2S2/c17-16(18)8-6-11-10(19-8)20-9-12-13-14-15(9)7-4-2-1-3-5-7/h1-6H
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n/an/a 183n/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...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29313
PNG
(dithioether 1,3,4-thiadiazole, 8f)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)s1
Show InChI InChI=1S/C8H2N6O4S5/c15-13(16)3-1-9-5(19-3)21-7-11-12-8(23-7)22-6-10-2-4(20-6)14(17)18/h1-2H
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n/an/a 187n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29285
PNG
(triazole, 3c)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)cc2)s1
Show InChI InChI=1S/C11H6FN5O3S2/c12-6-1-3-7(4-2-6)16-9(18)14-15-10(16)22-11-13-5-8(21-11)17(19)20/h1-5H,(H,14,18)
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n/an/a 225n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM26058
PNG
(5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-phenyl-4H...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccccc2)s1
Show InChI InChI=1S/C11H7N5O3S2/c17-9-13-14-10(15(9)7-4-2-1-3-5-7)21-11-12-6-8(20-11)16(18)19/h1-6H,(H,13,17)
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n/an/a 237n/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...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29315
PNG
(2-amino-1,3,4-thiadiazole, 9)
Show SMILES Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
Show InChI InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)
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n/an/a 239n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM26057
PNG
(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
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n/an/a 500n/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...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29294
PNG
(triazole, 3l)
Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(F)c2)s1
Show InChI InChI=1S/C11H6FN5O3S2/c12-6-2-1-3-7(4-6)16-9(18)14-15-10(16)22-11-13-5-8(21-11)17(19)20/h1-5H,(H,14,18)
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n/an/a 626n/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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM29317
PNG
(2-amino-1,3,4-thiadiazole, 11)
Show SMILES Nc1nnc(SCc2ccc(F)cc2)s1
Show InChI InChI=1S/C9H8FN3S2/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)
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n/an/a>1.00E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM26060
PNG
(4-methyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sul...)
Show SMILES Cc1nc(Sc2nnnn2-c2ccccc2)sc1C(O)=O
Show InChI InChI=1S/C12H9N5O2S2/c1-7-9(10(18)19)20-12(13-7)21-11-14-15-16-17(11)8-5-3-2-4-6-8/h2-6H,1H3,(H,18,19)
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n/an/a 7.50E+3n/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...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM26062
PNG
(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitroth...)
Show SMILES [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C14H10N4O5S2/c19-13-15-16-14(25-12-4-3-11(24-12)18(20)21)17(13)8-1-2-9-10(7-8)23-6-5-22-9/h1-4,7H,5-6H2,(H,15,19)
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n/an/a>2.50E+4n/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...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM26061
PNG
(5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole |...)
Show SMILES C(Sc1nnnn1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12N4S/c1-3-7-12(8-4-1)11-19-14-15-16-17-18(14)13-9-5-2-6-10-13/h1-10H,11H2
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n/an/a>2.50E+4n/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...


Proc Natl Acad Sci U S A 105: 16809-13 (2008)


Article DOI: 10.1073/pnas.0805677105
BindingDB Entry DOI: 10.7270/Q22N50K9
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/an/an/a



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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
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/an/an/a



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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
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/an/an/a



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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
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/an/an/a



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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
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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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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
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/an/an/a



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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
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/a7.80



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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
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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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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
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)


Article DOI: 10.1021/jm801503n
BindingDB Entry DOI: 10.7270/Q20Z71MD
More data for this
Ligand-Target Pair