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BDBM55155 MLS001172021::N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-keto-ethyl]benzamide::N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]benzamide::N-[2-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-2-oxidanylidene-ethyl]benzamide::SMR000589943::cid_2121587

SMILES: Oc1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1O

InChI Key: InChIKey=BGJFCMRHUGYLKP-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 55155   
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
Cathepsin L1


(Homo sapiens (Human))
BDBM55155
PNG
(MLS001172021 | N-[2-[2-(3,4-dihydroxyphenyl)ethyla...)
Show SMILES Oc1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1O
Show InChI InChI=1S/C17H18N2O4/c20-14-7-6-12(10-15(14)21)8-9-18-16(22)11-19-17(23)13-4-2-1-3-5-13/h1-7,10,20-21H,8-9,11H2,(H,18,22)(H,19,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20K2704
More data for this
Ligand-Target Pair
M18 aspartyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM55155
PNG
(MLS001172021 | N-[2-[2-(3,4-dihydroxyphenyl)ethyla...)
Show SMILES Oc1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1O
Show InChI InChI=1S/C17H18N2O4/c20-14-7-6-12(10-15(14)21)8-9-18-16(22)11-19-17(23)13-4-2-1-3-5-13/h1-7,10,20-21H,8-9,11H2,(H,18,22)(H,19,23)
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 1.81E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q24B2ZQ2
More data for this
Ligand-Target Pair