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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50312671'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50312671
PNG
((S)-N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-(4-i...)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1[C@H]2[C@@H](COC2=O)[C@H](OC(=O)CCC(=O)NCCCCNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C43H52N2O11/c1-24(2)17-26-9-11-27(12-10-26)25(3)42(48)45-16-8-7-15-44-36(46)13-14-37(47)56-40-30-21-33-32(54-23-55-33)20-29(30)38(39-31(40)22-53-43(39)49)28-18-34(50-4)41(52-6)35(19-28)51-5/h9-12,18-21,24-25,31,38-40H,7-8,13-17,22-23H2,1-6H3,(H,44,46)(H,45,48)/t25-,31+,38-,39+,40+/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>4.00E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1

Bioorg Med Chem Lett 20: 1787-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.009
BindingDB Entry DOI: 10.7270/Q2J966H5
More data for this
Ligand-Target Pair