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4 similar compounds to monomer 39775

Compile data set for download or QSAR
Wt: 381.4
BDBM50737
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Wt: 366.4
BDBM50113293
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Wt: 297.3
BDBM50168879
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Wt: 356.4
BDBM50211894
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50737,50113293,50168879,50211894   
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))
BDBM50737
PNG
(4-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1
Show InChI InChI=1S/C20H15NO3S2/c1-13(11-14-5-3-2-4-6-14)12-17-18(22)21(20(25)26-17)16-9-7-15(8-10-16)19(23)24/h2-12H,1H3,(H,23,24)/b13-11+,17-12-
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n/an/a 3.09E+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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM50737
PNG
(4-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1
Show InChI InChI=1S/C20H15NO3S2/c1-13(11-14-5-3-2-4-6-14)12-17-18(22)21(20(25)26-17)16-9-7-15(8-10-16)19(23)24/h2-12H,1H3,(H,23,24)/b13-11+,17-12-
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n/an/a 5.93E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50737
PNG
(4-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1
Show InChI InChI=1S/C20H15NO3S2/c1-13(11-14-5-3-2-4-6-14)12-17-18(22)21(20(25)26-17)16-9-7-15(8-10-16)19(23)24/h2-12H,1H3,(H,23,24)/b13-11+,17-12-
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n/an/an/an/a 8.26E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50737
PNG
(4-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1
Show InChI InChI=1S/C20H15NO3S2/c1-13(11-14-5-3-2-4-6-14)12-17-18(22)21(20(25)26-17)16-9-7-15(8-10-16)19(23)24/h2-12H,1H3,(H,23,24)/b13-11+,17-12-
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n/an/a 4.09E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211894
PNG
(5-(4-(dimethylamino)benzylidene)-3-(4-hydroxypheny...)
Show SMILES CN(C)c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H16N2O2S2/c1-19(2)13-5-3-12(4-6-13)11-16-17(22)20(18(23)24-16)14-7-9-15(21)10-8-14/h3-11,21H,1-2H3/b16-11-
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CHEMBL
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Article
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n/an/a 870n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50737
PNG
(4-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1
Show InChI InChI=1S/C20H15NO3S2/c1-13(11-14-5-3-2-4-6-14)12-17-18(22)21(20(25)26-17)16-9-7-15(8-10-16)19(23)24/h2-12H,1H3,(H,23,24)/b13-11+,17-12-
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n/an/a 1.88E+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...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase VHX (VHX)


(Homo sapiens (Human))
BDBM50168879
PNG
(3-Phenyl-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-th...)
Show SMILES O=C1N(C(=S)S\C1=C/c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H11NOS2/c18-15-14(11-12-7-3-1-4-8-12)20-16(19)17(15)13-9-5-2-6-10-13/h1-11H/b14-11-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ceptyr Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK-stimulating phosphatase-1 (JSP-1)


Bioorg Med Chem Lett 15: 3374-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.034
BindingDB Entry DOI: 10.7270/Q2NG4Q4B
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50113293
PNG
(4-[4-Oxo-5-(3-phenyl-allylidene)-2-thioxo-thiazoli...)
Show SMILES [O-]C(=O)c1ccc(cc1)N1C(=S)S\C(=C\C=C\c2ccccc2)C1=O
Show InChI InChI=1S/C19H13NO3S2/c21-17-16(8-4-7-13-5-2-1-3-6-13)25-19(24)20(17)15-11-9-14(10-12-15)18(22)23/h1-12H,(H,22,23)/p-1/b7-4+,16-8+
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n/an/a 4.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide


J Med Chem 45: 2213-21 (2002)


Article DOI: 10.1021/jm010548w
BindingDB Entry DOI: 10.7270/Q2SB46F1
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM50737
PNG
(4-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1
Show InChI InChI=1S/C20H15NO3S2/c1-13(11-14-5-3-2-4-6-14)12-17-18(22)21(20(25)26-17)16-9-7-15(8-10-16)19(23)24/h2-12H,1H3,(H,23,24)/b13-11+,17-12-
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n/an/a 5.25E+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...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair