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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50106337
Substrate
n/a
Meas. Tech.
ChEMBL_1506587 (CHEMBL3598340)
IC50
54900±n/a nM
Citation
 Srinivas, V; Mohan, CD; Baburajeev, CP; Rangappa, S; Jagadish, S; Fuchs, JE; Sukhorukov, AY; Chandra, na; Mason, DJ; Sharath Kumar, KS; Madegowda, M; Bender, A; Basappa, na; Rangappa, KS Synthesis and characterization of novel oxazines and demonstration that they specifically target cyclooxygenase 2. Bioorg Med Chem Lett 25:2931-6 (2015) [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:
BDBM50106337
Synonyms:
CHEMBL3596286
Type:
Small organic molecule
Emp. Form.:
C23H27Cl2N3O
Mol. Mass.:
432.386
SMILES:
CC1(C)CC(C(CN2CCN(CC2)c2cccc(Cl)c2Cl)=NO1)c1ccccc1 |c:22|
Structure:
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