Reaction Details Report a problem with these data
Target
G-protein coupled receptor 35
Ligand
BDBM61631
Substrate
n/a
Meas. Tech.
Image-Based HTS for Selective Antagonists of GPR35
IC50
1107.144±n/a nM
Citation
 PubChem, PC Image-Based HTS for Selective Antagonists of GPR35 PubChem Bioassay (2010)[AID] 
Target
Name:
G-protein coupled receptor 35
Synonyms:
G protein-coupled receptor 35 | GPR35 | GPR35_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
34085.57
Organism:
Homo sapiens (Human)
Description:
gi_33695097
Residue:
309
Sequence:
MNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA
  
Inhibitor
Name:
BDBM61631
Synonyms:
1-(2,4-difluorophenyl)-5-[(E)-(methylthiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester | 1-(2,4-difluorophenyl)-5-[(methylthiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester | 1-(2,4-difluorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester | MLS000834951 | SMR000461567 | cid_2745684 | methyl 1-(2,4-difluorophenyl)-5-[(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate | methyl 1-(2,4-difluorophenyl)-5-{2-[(methylamino)carbothioyl]carbohydrazonoyl}-1H-pyrazole-4-carboxylate | methyl 1-[2,4-bis(fluoranyl)phenyl]-5-[(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate
Type:
Small organic molecule
Emp. Form.:
C14H13F2N5O2S
Mol. Mass.:
353.347
SMILES:
CNC(=S)NN=Cc1c(cnn1-c1ccc(F)cc1F)C(=O)OC |w:5.4|
Structure:
Search PDB for entries with ligand similarity: