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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50188302
Substrate
n/a
Meas. Tech.
ChEMBL_378652 (CHEMBL871488)
IC50
40±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:
BDBM50188302
Synonyms:
2-(1-(7-chloroquinolin-4-yl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid | CHEMBL213029
Type:
Small organic molecule
Emp. Form.:
C21H17ClN2O3
Mol. Mass.:
380.824
SMILES:
COc1ccc2n(c(C)c(CC(O)=O)c2c1)-c1ccnc2cc(Cl)ccc12 |(-9.26,-.49,;-7.93,.28,;-6.59,-.48,;-6.59,-2.03,;-5.26,-2.8,;-3.92,-2.03,;-2.44,-2.5,;-1.53,-1.24,;.01,-1.23,;-2.45,.01,;-1.98,1.47,;-.47,1.8,;.57,.66,;0,3.27,;-3.93,-.48,;-5.26,.29,;-1.96,-3.97,;-.45,-4.26,;.04,-5.72,;-.99,-6.88,;-2.5,-6.57,;-3.51,-7.71,;-5.01,-7.41,;-6.02,-8.56,;-5.5,-5.95,;-4.48,-4.8,;-2.98,-5.11,)|
Structure:
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