Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50071370
Substrate
n/a
Meas. Tech.
ChEMBL_551370 (CHEMBL1008496)
IC50
66000±n/a nM
Citation
 Larsson, J; Gottfries, J; Bohlin, L; Backlund, A Expanding the ChemGPS chemical space with natural products. J Nat Prod 68:985-91 (2005) [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:
BDBM50071370
Synonyms:
(3R,8S)-falcarindiol | (3R,8S,)-heptadeca-1,9-dien-4,6-diyne-3,8-diol | (3S,8S)-falcarindiol | (Z)-(3R,8S)-Heptadeca-1,9-diene-4,6-diyne-3,8-diol | (Z)-(3S,8S)-Heptadeca-1,9-diene-4,6-diyne-3,8-diol | CHEMBL69018 | Falcarindiol | Heptadeca-1,9(Z)-diene-4,6-diyne-3,8-diol | Heptadeca-1,9-diene-4,6-diyne-3,8-diol
Type:
Small organic molecule
Emp. Form.:
C17H24O2
Mol. Mass.:
260.3713
SMILES:
CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
Structure:
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