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BDBM74168 (2S)-2-[(2,6-difluorobenzoyl)amino]-3-methyl-butyric acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester::(2S)-2-[[(2,6-difluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester::MLS001077450::SMR000709461::[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-butanoate::[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoate::cid_24819948

SMILES: CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NC(=O)NC1CCCC1

InChI Key: InChIKey=XZUPRPXNEWABOA-KRWDZBQOSA-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 = 74168   
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)
BDBM74168
PNG
((2S)-2-[(2,6-difluorobenzoyl)amino]-3-methyl-butyr...)
Show SMILES CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NC(=O)NC1CCCC1
Show InChI InChI=1S/C20H25F2N3O5/c1-11(2)17(25-18(27)16-13(21)8-5-9-14(16)22)19(28)30-10-15(26)24-20(29)23-12-6-3-4-7-12/h5,8-9,11-12,17H,3-4,6-7,10H2,1-2H3,(H,25,27)(H2,23,24,26,29)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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