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BDBM75859 5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1-phenyl-pyrazole-4-carboxylic acid methyl ester::5-[(E)-[[(tert-butylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-1-phenyl-4-pyrazolecarboxylic acid methyl ester::MLS-0437442.0001::cid_9581005::methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-phenyl-pyrazole-4-carboxylate::methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-phenylpyrazole-4-carboxylate

SMILES: COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccccc1

InChI Key: InChIKey=JIEPSNISSOTRTM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 75859   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM75859
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C17H21N5O2S/c1-17(2,3)20-16(25)21-18-11-14-13(15(23)24-4)10-19-22(14)12-8-6-5-7-9-12/h5-11H,1-4H3,(H2,20,21,25)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 6.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12342
BindingDB Entry DOI: 10.7270/Q2QV3K0X
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM75859
PNG
(5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C17H21N5O2S/c1-17(2,3)20-16(25)21-18-11-14-13(15(23)24-4)10-19-22(14)12-8-6-5-7-9-12/h5-11H,1-4H3,(H2,20,21,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 307n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12336
BindingDB Entry DOI: 10.7270/Q2VM49RP
More data for this
Ligand-Target Pair