BindingDB logo
myBDB logout

BDBM74327 2,4-dimethylbenzoic acid [2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl] ester::2,4-dimethylbenzoic acid [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl] ester::MLS002164823::SMR001247194::[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate::[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate::cid_9361441

SMILES: Cc1ccc(C(=O)OCC(=O)Nc2cc(no2)C(C)(C)C)c(C)c1

InChI Key: InChIKey=FZAKDQMJVRQACB-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 74327   
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)
BDBM74327
PNG
(2,4-dimethylbenzoic acid [2-[(3-tert-butyl-5-isoxa...)
Show SMILES Cc1ccc(C(=O)OCC(=O)Nc2cc(no2)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C18H22N2O4/c1-11-6-7-13(12(2)8-11)17(22)23-10-15(21)19-16-9-14(20-24-16)18(3,4)5/h6-9H,10H2,1-5H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

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