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BDBM33102 MLS000571745::N-ethyl-N-(1-hydroxy-3,4-diketo-2-naphthyl)propionamide::N-ethyl-N-(1-hydroxy-3,4-dioxo-2-naphthalenyl)propanamide::N-ethyl-N-(1-hydroxy-3,4-dioxonaphthalen-2-yl)propanamide::N-ethyl-N-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)propanamide::N-ethyl-N-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]propanamide::SMR000193757::cid_2879069

SMILES: CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC

InChI Key: InChIKey=JOQBJIZODSHWDW-UHFFFAOYSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 33102   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM33102
PNG
(MLS000571745 | N-ethyl-N-(1-hydroxy-3,4-diketo-2-n...)
Show SMILES CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
Show InChI InChI=1S/C15H15NO4/c1-3-11(17)16(4-2)12-13(18)9-7-5-6-8-10(9)14(19)15(12)20/h5-8,12H,3-4H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.44E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM33102
PNG
(MLS000571745 | N-ethyl-N-(1-hydroxy-3,4-diketo-2-n...)
Show SMILES CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
Show InChI InChI=1S/C15H15NO4/c1-3-11(17)16(4-2)12-13(18)9-7-5-6-8-10(9)14(19)15(12)20/h5-8,12H,3-4H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 980n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2B27SQ0
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33102
PNG
(MLS000571745 | N-ethyl-N-(1-hydroxy-3,4-diketo-2-n...)
Show SMILES CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
Show InChI InChI=1S/C15H15NO4/c1-3-11(17)16(4-2)12-13(18)9-7-5-6-8-10(9)14(19)15(12)20/h5-8,12H,3-4H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 80n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM33102
PNG
(MLS000571745 | N-ethyl-N-(1-hydroxy-3,4-diketo-2-n...)
Show SMILES CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
Show InChI InChI=1S/C15H15NO4/c1-3-11(17)16(4-2)12-13(18)9-7-5-6-8-10(9)14(19)15(12)20/h5-8,12H,3-4H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 920n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair