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2 similar compounds to monomer 76483

Compile data set for download or QSAR
Wt: 295.2
BDBM48738
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Wt: 323.3
BDBM88697
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 48738,88697   
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM48738
PNG
(3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-keto-et...)
Show SMILES Oc1cccc(c1)C(=O)OCC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H13NO4/c19-12-5-3-4-11(8-12)17(21)22-10-16(20)14-9-18-15-7-2-1-6-13(14)15/h1-9,18-19H,10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.46E+4n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM88697
PNG
(4-hydroxybenzoic acid [2-(7-ethyl-1H-indol-3-yl)-2...)
Show SMILES CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H17NO4/c1-2-12-4-3-5-15-16(10-20-18(12)15)17(22)11-24-19(23)13-6-8-14(21)9-7-13/h3-10,20-21H,2,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM88697
PNG
(4-hydroxybenzoic acid [2-(7-ethyl-1H-indol-3-yl)-2...)
Show SMILES CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H17NO4/c1-2-12-4-3-5-15-16(10-20-18(12)15)17(22)11-24-19(23)13-6-8-14(21)9-7-13/h3-10,20-21H,2,11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q26D5RK7
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM48738
PNG
(3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-keto-et...)
Show SMILES Oc1cccc(c1)C(=O)OCC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H13NO4/c19-12-5-3-4-11(8-12)17(21)22-10-16(20)14-9-18-15-7-2-1-6-13(14)15/h1-9,18-19H,10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.40E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair