Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin G/H synthase 1/2
LigandBDBM50140172
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1570295 (CHEMBL3795271)
IC50 2000±n/a nM
Citation Mohd Aluwi, MFRullah, KYamin, BMLeong, SWAbdul Bahari, MNLim, SJMohd Faudzi, SMJalil, JAbas, FMohd Fauzi, NIsmail, NHJantan, ILam, KW Synthesis of unsymmetrical monocarbonyl curcumin analogues with potent inhibition on prostaglandin E2 production in LPS-induced murine and human macrophages cell lines. Bioorg Med Chem Lett26:2531-8 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin G/H synthase 1/2
Name:Prostaglandin G/H synthase 1/2
Synonyms:Cyclooxygenase
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 1570295
Components:This complex has 2 components.
Component 1
Name:Prostaglandin G/H synthase 2
Synonyms:COX2 | Cyclooxygenase | Cyclooxygenase-2 | PGH synthase 2 | PGH2_BOVIN | PGHS-2 | PHS II | PTGS2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2
Type:PROTEIN
Mol. Mass.:69173.20
Organism:Bos taurus
Description:ChEMBL_157990
Residue:604
Sequence:
MLARALLLCAAVALSGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFL
TRIKLLLKPTPNTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHY
SYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGT
NLMFAFFAQHFTHQFFKTDFERGPAFTKGKNHGVDLSHIYGESLERQHKLRLFKDGKMKY
QMINGEMYPPTVKDTQVEMIYPPHVPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQ
NRIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGLTQFVESFTRQRAGRV
AGGRNLPVAVEKVSKASIDQSREMKYQSFNEYRKRFLVKPYESFEELTGEKEMAAELEAL
YGDIDAMEFYPALLVEKPRPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEV
GFKIINTASIQSLICSNVKGCPFTSFSVQDTHLTKTVTINASSSHSGLDDINPTVLLKER
STEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Prostaglandin G/H synthase 1
Synonyms:COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | PGH1_BOVIN | PTGS1
Type:PROTEIN
Mol. Mass.:68814.10
Organism:Bos taurus
Description:ChEMBL_547440
Residue:600
Sequence:
MSRQGISLRFPLLLLLLSPSPVLPADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCT
RTGYYGPNCTIPEIWTWLRTTLRPSPSFVHFLLTHGRWLWDFVNATFIRDKLMRLVLTVR
SNLIPSPPTYNVAHDYISWESFSNVSYYTRILPSVPRDCPTPMGTKGKKQLPDAEFLSRR
FLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLER
QYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMV
YATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLK
FDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVE
ALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRELRLQPFNEYRKRFGMKPYTSFQE
LTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPIC
SPEYWKASTFGGDVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPHREDRPGVERPPTEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50140172
n/a
NameBDBM50140172
Synonyms:CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Table 1, Compound 21: curcumin
TypeSmall organic molecule
Emp. Form.C21H20O6
Mol. Mass.368.3799
SMILESCOc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: