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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 = 'BDBM50019162'   
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))		BDBM50019162
PNG
(CHEMBL3289103)
Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]12C)C(C)C |r,t:16|
Show InChI InChI=1S/C30H48O3/c1-18(2)21-10-14-30(8)26(28(21,6)13-11-24(32)33)23(31)17-22-25-20(4)19(3)9-12-27(25,5)15-16-29(22,30)7/h17-21,25-26H,9-16H2,1-8H3,(H,32,33)/t19-,20+,21+,25+,26-,27-,28+,29-,30-/m1/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair