BDBM50528368 CHEMBL4465765

SMILES: [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(O)c(O)c2)OC[C@](O)(COC(=O)c2ccc(O)c(O)c2)[C@H]1O

InChI Key: InChIKey=CPLPOIPKVDPNOQ-JALRXJJFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528368   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50528368 (CHEMBL4465765) Show SMILES [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(O)c(O)c2)OC[C@](O)(COC(=O)c2ccc(O)c(O)c2)[C@H]1O |r| Show InChI InChI=1S/C24H28O15/c25-7-16-17(30)18(31)19(22(38-16)37-11-2-4-13(27)15(29)6-11)39-23-20(32)24(34,9-36-23)8-35-21(33)10-1-3-12(26)14(28)5-10/h1-6,16-20,22-23,25-32,34H,7-9H2/t16-,17-,18+,19-,20+,22-,23+,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of recombinant ovine COX2 using arachidonic acid as substrate preincubated for 15 mins followed by arachidonic acid addition measured afte...				Eur J Med Chem 179: 272-309 (2019) Article DOI: 10.1016/j.ejmech.2019.06.034
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