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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50188307
Substrate
n/a
Meas. Tech.
ChEMBL_378653 (CHEMBL871489)
IC50
400±n/a nM
Citation
 Birkinshaw, TN; Teague, SJ; Beech, C; Bonnert, RV; Hill, S; Patel, A; Reakes, S; Sanganee, H; Dougall, IG; Phillips, TT; Salter, S; Schmidt, J; Arrowsmith, EC; Carrillo, JJ; Bell, FM; Paine, SW; Weaver, R Discovery of potent CRTh2 (DP2) receptor antagonists. Bioorg Med Chem Lett 16:4287-90 (2006) [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:
BDBM50188307
Synonyms:
2-(3-(7-chloroquinolin-4-yl)-2,5-dimethyl-1H-indol-1-yl)acetic acid | CHEMBL212777
Type:
Small organic molecule
Emp. Form.:
C21H17ClN2O2
Mol. Mass.:
364.825
SMILES:
Cc1c(-c2ccnc3cc(Cl)ccc23)c2cc(C)ccc2n1CC(O)=O |(-.89,-17.71,;-2.43,-17.72,;-3.33,-18.98,;-2.85,-20.44,;-1.35,-20.74,;-.86,-22.2,;-1.89,-23.36,;-3.4,-23.04,;-4.41,-24.19,;-5.9,-23.88,;-6.92,-25.04,;-6.39,-22.43,;-5.37,-21.28,;-3.88,-21.59,;-4.82,-18.51,;-6.15,-19.27,;-7.49,-18.5,;-8.82,-19.27,;-7.49,-16.96,;-6.16,-16.19,;-4.82,-16.95,;-3.34,-16.47,;-2.87,-15,;-1.37,-14.68,;-.33,-15.81,;-.89,-13.21,)|
Structure:
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