Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50269812
Substrate
n/a
Meas. Tech.
ChEMBL_506875 (CHEMBL947576)
IC50
5200±n/a nM
Citation
 Waffo-Teguo, P; Lee, D; Cuendet, M; Mérillon, J; Pezzuto, JM; Kinghorn, AD Two new stilbene dimer glucosides from grape (Vitis vinifera) cell cultures. J Nat Prod 64:136-8 (2001) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Enzyme
Mol. Mass.:
68692.62
Organism:
Homo sapiens (Human)
Description:
P23219
Residue:
599
Sequence:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQELVGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
  
Inhibitor
Name:
BDBM50269812
Synonyms:
CHEMBL503412 | resveratrol (E)-dehydrodimer 11-O-beta-D-glucopyranoside
Type:
Small organic molecule
Emp. Form.:
C34H32O11
Mol. Mass.:
616.6113
SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)cc(c2)[C@@H]2[C@H](Oc3ccc(\C=C\c4cc(O)cc(O)c4)cc23)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Structure:
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