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BDBM74296 3-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)propionic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester::3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester::MLS002180893::SMR001269923::[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoate::[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate::cid_25162354

SMILES: CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O)cc1OCC

InChI Key: InChIKey=CVFZWGAGNLLUFN-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 74296   
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
LANA


(Human herpesvirus 8)		BDBM74296
PNG
(3-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)pr...)
Show SMILES CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O)cc1OCC |c:21|
Show InChI InChI=1S/C23H28N2O7/c1-3-30-18-10-9-15(13-19(18)31-4-2)24-20(26)14-32-21(27)11-12-25-22(28)16-7-5-6-8-17(16)23(25)29/h5-6,9-10,13,16-17H,3-4,7-8,11-12,14H2,1-2H3,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair