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BDBM75866 1-(2,4-difluorophenyl)-5-[(E)-(phenylthiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester::5-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester::MLS-0437444.0001::cid_9581012::methyl 1-(2,4-difluorophenyl)-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate::methyl 1-[2,4-bis(fluoranyl)phenyl]-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate

SMILES: COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(F)cc1F

InChI Key: InChIKey=HIGGKLHMWDDGKQ-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 = 75866   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM75866
PNG
(1-(2,4-difluorophenyl)-5-[(E)-(phenylthiocarbamoyl...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(F)cc1F
Show InChI InChI=1S/C19H15F2N5O2S/c1-28-18(27)14-10-23-26(16-8-7-12(20)9-15(16)21)17(14)11-22-25-19(29)24-13-5-3-2-4-6-13/h2-11H,1H3,(H2,24,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/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)


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


(Homo sapiens (Human))
BDBM75866
PNG
(1-(2,4-difluorophenyl)-5-[(E)-(phenylthiocarbamoyl...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(F)cc1F
Show InChI InChI=1S/C19H15F2N5O2S/c1-28-18(27)14-10-23-26(16-8-7-12(20)9-15(16)21)17(14)11-22-25-19(29)24-13-5-3-2-4-6-13/h2-11H,1H3,(H2,24,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 379n/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)


BindingDB Entry DOI: 10.7270/Q2VM49RP
More data for this
Ligand-Target Pair