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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50067480'   
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 2


(Homo sapiens (Human))		BDBM50067480
PNG
(CHEMBL3400660)
Show SMILES [H][C@]12[C@]3([H])C(=O)C(CO)=C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)C(\C)=C\C)[C@@]1(OC(=O)C(C)CC)C2(C)C |r,c:8,15|
Show InChI InChI=1S/C30H40O9/c1-9-14(3)25(34)38-24-17(6)29(37)19-11-16(5)23(33)28(19,36)12-18(13-31)21(32)20(29)22-27(7,8)30(22,24)39-26(35)15(4)10-2/h9,11-12,15,17,19-20,22,24,31,36-37H,10,13H2,1-8H3/b14-9+/t15?,17-,19-,20+,22-,24-,28-,29+,30-/m1/s1
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Similars
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Hunan University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using fluorometric substrate after 15 mins

Bioorg Med Chem Lett 25: 1986-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.017
BindingDB Entry DOI: 10.7270/Q27946CT
More data for this
Ligand-Target Pair