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5 similar compounds to monomer 50049730

Compile data set for download or QSAR
Wt: 361.4
BDBM44107
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Wt: 309.3
BDBM52606
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Wt: 347.4
BDBM96467
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Wt: 320.3
BDBM50444641
Wt: 330.3
BDBM50444642

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 44107,52606,96467,50444641,50444642   
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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM44107
PNG
(2-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/C(/C)=C/c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C18H19NO3S2/c1-11(2)15(17(21)22)19-16(20)14(24-18(19)23)10-12(3)9-13-7-5-4-6-8-13/h4-11,15H,1-3H3,(H,21,22)/b12-9+,14-10-
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n/an/an/an/a 2.68E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM52606
PNG
(2-[(5E)-5-[(E)-3-(2-furanyl)-2-methylprop-2-enylid...)
Show SMILES C\C(=C/c1ccco1)\C=C1\SC(=S)N(CC(O)=O)C1=O
Show InChI InChI=1S/C13H11NO4S2/c1-8(5-9-3-2-4-18-9)6-10-12(17)14(7-11(15)16)13(19)20-10/h2-6H,7H2,1H3,(H,15,16)/b8-5+,10-6+
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52606
PNG
(2-[(5E)-5-[(E)-3-(2-furanyl)-2-methylprop-2-enylid...)
Show SMILES C\C(=C/c1ccco1)\C=C1\SC(=S)N(CC(O)=O)C1=O
Show InChI InChI=1S/C13H11NO4S2/c1-8(5-9-3-2-4-18-9)6-10-12(17)14(7-11(15)16)13(19)20-10/h2-6H,7H2,1H3,(H,15,16)/b8-5+,10-6+
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50444642
PNG
(CHEMBL3098459)
Show SMILES OC(=O)CN1C(=S)S\C(=C/C(=C/c2ccccc2)/C#N)C1=O
Show InChI InChI=1S/C15H10N2O3S2/c16-8-11(6-10-4-2-1-3-5-10)7-12-14(20)17(9-13(18)19)15(21)22-12/h1-7H,9H2,(H,18,19)/b11-6-,12-7-
PDB
MMDB

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Article
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n/an/a 750n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...


Eur J Med Chem 71: 53-66 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.043
BindingDB Entry DOI: 10.7270/Q2H996P7
More data for this
Ligand-Target Pair
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM96467
PNG
(2-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES CCC(N1C(=S)S\C(=C/C(/C)=C/c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C17H17NO3S2/c1-3-13(16(20)21)18-15(19)14(23-17(18)22)10-11(2)9-12-7-5-4-6-8-12/h4-10,13H,3H2,1-2H3,(H,20,21)/b11-9+,14-10-
PDB

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n/an/a 4.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50444641
PNG
(CHEMBL3098447)
Show SMILES OC(=O)CN1C(=S)S\C(=C/C(=C/c2ccco2)/C#N)C1=O
Show InChI InChI=1S/C13H8N2O4S2/c14-6-8(4-9-2-1-3-19-9)5-10-12(18)15(7-11(16)17)13(20)21-10/h1-5H,7H2,(H,16,17)/b8-4-,10-5-
PDB
MMDB

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n/an/a 670n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...


Eur J Med Chem 71: 53-66 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.043
BindingDB Entry DOI: 10.7270/Q2H996P7
More data for this
Ligand-Target Pair
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM44107
PNG
(2-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/C(/C)=C/c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C18H19NO3S2/c1-11(2)15(17(21)22)19-16(20)14(24-18(19)23)10-12(3)9-13-7-5-4-6-8-13/h4-11,15H,1-3H3,(H,21,22)/b12-9+,14-10-
PDB

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n/an/a 5.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair