Target
Prostaglandin G/H synthase 1
Ligand
BDBM50387594
Substrate
n/a
Meas. Tech.
ChEMBL_830632 (CHEMBL2061525)
IC50
2500±n/a nM
Citation
 Hansen, FKKhankischpur, MTolaymat, IMesaros, RDannhardt, GGeffken, D Efficient synthesis and 5-LOX/COX-inhibitory activity of some 3-hydroxybenzo[b]thiophene-2-carboxylic acid derivatives. Bioorg Med Chem Lett 22:5031-4 (2012) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | PGH1_BOVIN | PTGS1
Type:
PROTEIN
Mol. Mass.:
68814.10
Organism:
Bos taurus
Description:
ChEMBL_547440
Residue:
600
Sequence:
MSRQGISLRFPLLLLLLSPSPVLPADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYYGPNCTIPEIWTWLRTTLRPSPSFVHFLLTHGRWLWDFVNATFIRDKLMRLVLTVRSNLIPSPPTYNVAHDYISWESFSNVSYYTRILPSVPRDCPTPMGTKGKKQLPDAEFLSRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMVYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRELRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGDVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPHREDRPGVERPPTEL
  
Inhibitor
Name:
BDBM50387594
Synonyms:
CHEMBL2057741
Type:
Small organic molecule
Emp. Form.:
C9H5ClO3S
Mol. Mass.:
228.652
SMILES:
OC(=O)c1sc2c(Cl)cccc2c1O
Structure:
Search PDB for entries with ligand similarity: