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2 similar compounds to monomer 51832

Wt: 447.5
BDBM54162
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Wt: 258.2
BDBM56457
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 54162,56457   
Target
(Institution)
LigandTarget
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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54162
PNG
(3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2cc3OCCOc3cc2s1
Show InChI InChI=1S/C20H21N3O5S2/c1-3-23(4-2)30(25,26)14-7-5-6-13(10-14)19(24)22-20-21-15-11-16-17(12-18(15)29-20)28-9-8-27-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,22,24)
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PC sid
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Article
PCBioAssay
n/an/a 3.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM56457
PNG
(2-methyl-N'-(2-methylbenzoyl)-3-furohydrazide ...)
Show SMILES Cc1occc1C(=O)NNC(=O)c1ccccc1C
Show InChI InChI=1S/C14H14N2O3/c1-9-5-3-4-6-11(9)13(17)15-16-14(18)12-7-8-19-10(12)2/h3-8H,1-2H3,(H,15,17)(H,16,18)
PDB
MMDB

KEGG

B.MOAD
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PC sid
UniChem

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PCBioAssay
n/an/a 4.92E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM54162
PNG
(3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2cc3OCCOc3cc2s1
Show InChI InChI=1S/C20H21N3O5S2/c1-3-23(4-2)30(25,26)14-7-5-6-13(10-14)19(24)22-20-21-15-11-16-17(12-18(15)29-20)28-9-8-27-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,22,24)
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PCBioAssay
n/an/a 4.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens)
BDBM54162
PNG
(3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2cc3OCCOc3cc2s1
Show InChI InChI=1S/C20H21N3O5S2/c1-3-23(4-2)30(25,26)14-7-5-6-13(10-14)19(24)22-20-21-15-11-16-17(12-18(15)29-20)28-9-8-27-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,22,24)
PDB
MMDB

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antibodypedia
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PCBioAssay
n/an/an/an/a 3.29E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54162
PNG
(3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2cc3OCCOc3cc2s1
Show InChI InChI=1S/C20H21N3O5S2/c1-3-23(4-2)30(25,26)14-7-5-6-13(10-14)19(24)22-20-21-15-11-16-17(12-18(15)29-20)28-9-8-27-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair