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BDBM29315 2-amino-1,3,4-thiadiazole, 9

SMILES: Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1

InChI Key: InChIKey=NQQBNZBOOHHVQP-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 29315   
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))
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

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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
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
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of JNK (unknown origin)


J Med Chem 61: 3239-3252 (2018)


BindingDB Entry DOI: 10.7270/Q2542R5N
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
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



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)


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