BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 480 hits from Burnham Institute for Medical Research   
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
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8443
PNG
(2-[(5Z)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H9ClF3NO4S2/c18-11-3-1-8(17(19,20)21)5-10(11)12-4-2-9(26-12)6-13-15(25)22(7-14(23)24)16(27)28-13/h1-6H,7H2,(H,23,24)/b13-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...


Proc Natl Acad Sci U S A 102: 9499-504 (2005)


Article DOI: 10.1073/pnas.0502733102
BindingDB Entry DOI: 10.7270/Q2TM78BQ
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24988
PNG
(1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formam...)
Show SMILES CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
300 -9.25n/an/an/an/an/a7.537



Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24984
PNG
((5E)-1-(3,5-dimethylphenyl)-5-[(5-phenylfuran-2-yl...)
Show SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)-c2ccccc2)C1=O
Show InChI InChI=1S/C23H18N2O4/c1-14-10-15(2)12-17(11-14)25-22(27)19(21(26)24-23(25)28)13-18-8-9-20(29-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,26,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
380 -9.10n/an/an/an/an/a7.537



Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8435
PNG
(3-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylide...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C17H12ClNO4S2/c18-11-3-1-10(2-4-11)13-6-5-12(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/b14-9-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
800n/a 1.70E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...


Proc Natl Acad Sci U S A 102: 9499-504 (2005)


Article DOI: 10.1073/pnas.0502733102
BindingDB Entry DOI: 10.7270/Q2TM78BQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24987
PNG
((5E)-1-benzyl-5-{[5-(2-chlorophenyl)furan-2-yl]met...)
Show SMILES Clc1ccccc1-c1ccc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)o1
Show InChI InChI=1S/C22H15ClN2O4/c23-18-9-5-4-8-16(18)19-11-10-15(29-19)12-17-20(26)24-22(28)25(21(17)27)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26,28)/b17-12+
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
850 -8.61n/an/an/an/an/a7.537



Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24986
PNG
((5E)-1-(3-bromophenyl)-5-{[5-(2-nitrophenyl)furan-...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)o1
Show InChI InChI=1S/C21H12BrN3O6/c22-12-4-3-5-13(10-12)24-20(27)16(19(26)23-21(24)28)11-14-8-9-18(31-14)15-6-1-2-7-17(15)25(29)30/h1-11H,(H,23,26,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
880 -8.59n/an/an/an/an/a7.537



Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24985
PNG
((5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}...)
Show SMILES Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(o2)-c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C22H15FN2O4/c1-13-4-2-3-5-18(13)25-21(27)17(20(26)24-22(25)28)12-16-10-11-19(29-16)14-6-8-15(23)9-7-14/h2-12H,1H3,(H,24,26,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
910 -8.57n/an/an/an/an/a7.537



Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
8.00E+3n/a 1.50E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
9.00E+3n/a 2.50E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
1.80E+4n/a 3.60E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.50E+4n/a 6.50E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
3.20E+4n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM31805
PNG
(Apogossypol derivative, 8n)
Show SMILES Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O
Show InChI InChI=1S/C40H36N2O8/c1-21-17-25-27(19-29(43)37(47)33(25)39(49)41-15-13-23-9-5-3-6-10-23)35(45)31(21)32-22(2)18-26-28(36(32)46)20-30(44)38(48)34(26)40(50)42-16-14-24-11-7-4-8-12-24/h3-12,17-20,43-48H,13-16H2,1-2H3,(H,41,49)(H,42,50)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8443
PNG
(2-[(5Z)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H9ClF3NO4S2/c18-11-3-1-8(17(19,20)21)5-10(11)12-4-2-9(26-12)6-13-15(25)22(7-14(23)24)16(27)28-13/h1-6H,7H2,(H,23,24)/b13-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained MAPKKide, LF (List Biological Labor...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM31809
PNG
(Apogossypol derivative, 8k)
Show SMILES CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H34Cl2N2O8/c1-17-13-25-27(15-29(45)37(49)33(25)39(51)43-19(3)21-5-9-23(41)10-6-21)35(47)31(17)32-18(2)14-26-28(36(32)48)16-30(46)38(50)34(26)40(52)44-20(4)22-7-11-24(42)12-8-22/h5-16,19-20,45-50H,1-4H3,(H,43,51)(H,44,52)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8442
PNG
(2-[(5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methy...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O
Show InChI InChI=1S/C16H9Cl2NO4S2/c17-10-3-1-8(5-11(10)18)12-4-2-9(23-12)6-13-15(22)19(7-14(20)21)16(24)25-13/h1-6H,7H2,(H,20,21)/b13-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained MAPKKide, LF (List Biological Labor...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8442
PNG
(2-[(5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methy...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O
Show InChI InChI=1S/C16H9Cl2NO4S2/c17-10-3-1-8(5-11(10)18)12-4-2-9(23-12)6-13-15(22)19(7-14(20)21)16(24)25-13/h1-6H,7H2,(H,20,21)/b13-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 265n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...


Proc Natl Acad Sci U S A 102: 9499-504 (2005)


Article DOI: 10.1073/pnas.0502733102
BindingDB Entry DOI: 10.7270/Q2TM78BQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31809
PNG
(Apogossypol derivative, 8k)
Show SMILES CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H34Cl2N2O8/c1-17-13-25-27(15-29(45)37(49)33(25)39(51)43-19(3)21-5-9-23(41)10-6-21)35(47)31(17)32-18(2)14-26-28(36(32)48)16-30(46)38(50)34(26)40(52)44-20(4)22-7-11-24(42)12-8-22/h5-16,19-20,45-50H,1-4H3,(H,43,51)(H,44,52)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270 110n/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 280n/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)...


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
Displayed 1 to 50 (of 480 total )  |  Next  |  Last  >>
Jump to: