BindingDB logo
myBDB logout

BDBM75860 1-phenyl-5-[(E)-(phenylthiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester::5-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-phenyl-4-pyrazolecarboxylic acid methyl ester::MLS-0300380.0001::cid_9581006::methyl 1-phenyl-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate

SMILES: COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccccc1

InChI Key: InChIKey=BNHOWVNWMKVGHF-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 = 75860   
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))
BDBM75860
PNG
(1-phenyl-5-[(E)-(phenylthiocarbamoylhydrazono)meth...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N5O2S/c1-26-18(25)16-12-21-24(15-10-6-3-7-11-15)17(16)13-20-23-19(27)22-14-8-4-2-5-9-14/h2-13H,1H3,(H2,22,23,27)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.51E+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))
BDBM75860
PNG
(1-phenyl-5-[(E)-(phenylthiocarbamoylhydrazono)meth...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N5O2S/c1-26-18(25)16-12-21-24(15-10-6-3-7-11-15)17(16)13-20-23-19(27)22-14-8-4-2-5-9-14/h2-13H,1H3,(H2,22,23,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.01E+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 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