BindingDB logo
myBDB logout

BDBM75861 5-[(E)-[(4-chlorophenyl)thiocarbamoylhydrazono]methyl]-1-phenyl-pyrazole-4-carboxylic acid methyl ester::5-[(E)-[[(4-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-1-phenyl-4-pyrazolecarboxylic acid methyl ester::MLS-0309970.0001::cid_9581007::methyl 5-[(E)-[(4-chlorophenyl)carbamothioylhydrazinylidene]methyl]-1-phenyl-pyrazole-4-carboxylate::methyl 5-[(E)-[(4-chlorophenyl)carbamothioylhydrazinylidene]methyl]-1-phenylpyrazole-4-carboxylate

SMILES: COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccccc1

InChI Key: InChIKey=QPIZDCSLLOXNMH-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 = 75861   
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))
BDBM75861
PNG
(5-[(E)-[(4-chlorophenyl)thiocarbamoylhydrazono]met...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C19H16ClN5O2S/c1-27-18(26)16-11-22-25(15-5-3-2-4-6-15)17(16)12-21-24-19(28)23-14-9-7-13(20)8-10-14/h2-12H,1H3,(H2,23,24,28)
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))
BDBM75861
PNG
(5-[(E)-[(4-chlorophenyl)thiocarbamoylhydrazono]met...)
Show SMILES COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C19H16ClN5O2S/c1-27-18(26)16-11-22-25(15-5-3-2-4-6-15)17(16)12-21-24-19(28)23-14-9-7-13(20)8-10-14/h2-12H,1H3,(H2,23,24,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 319n/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