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SMILES: C[C@@]1(CC=C2C(CCC3[C@](C)(CC(=O)NS(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1)C=C

InChI Key: InChIKey=IQHMKFJZOGUQIL-MEVFAHFPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50148381   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50148381
PNG
(4-Iodo-N-[2-((1S,4aR,7S)-1,4a,7-trimethyl-7-vinyl-...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@](C)(CC(=O)NS(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1)C=C |c:3|
Show InChI InChI=1S/C27H36INO3S/c1-5-25(2)16-13-22-19(17-25)7-12-23-26(3,14-6-15-27(22,23)4)18-24(30)29-33(31,32)21-10-8-20(28)9-11-21/h5,8-11,13,19,23H,1,6-7,12,14-18H2,2-4H3,(H,29,30)/t19?,23?,25-,26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.22E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons

Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair