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8 similar compounds to monomer 50142519

Compile data set for download or QSAR
Wt: 496.5
BDBM64089
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Wt: 380.3
BDBM50142509
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Wt: 348.3
BDBM50142512
Wt: 412.3
BDBM50142517
Wt: 380.3
BDBM50142526
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Wt: 245.2
BDBM50142530
Wt: 377.4
BDBM50187098
Wt: 376.4
BDBM50358256
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 64089,50142509,50142512,50142517,50142526,50142530,50187098,50358256   
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
Hsf1 protein


(Mus musculus)
BDBM64089
PNG
(3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)am...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C26H28N2O8/c1-31-19-11-15(12-20(32-2)23(19)35-5)25(29)27-17-9-7-8-10-18(17)28-26(30)16-13-21(33-3)24(36-6)22(14-16)34-4/h7-14H,1-6H3,(H,27,29)(H,28,30)
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n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142509
PNG
(CHEMBL44441 | N-[2-(3,4-dihydroxy-benzoylamino)-ph...)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1ccccc1NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H16N2O6/c23-15-7-5-11(9-17(15)25)19(27)21-13-3-1-2-4-14(13)22-20(28)12-6-8-16(24)18(26)10-12/h1-10,23-26H,(H,21,27)(H,22,28)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142512
PNG
(CHEMBL296797 | N-(2-Benzoylamino-4-hydroxyphenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C20H16N2O4/c23-15-9-5-13(6-10-15)19(25)21-17-3-1-2-4-18(17)22-20(26)14-7-11-16(24)12-8-14/h1-12,23-24H,(H,21,25)(H,22,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142517
PNG
(CHEMBL47885 | N-[4-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-1-2-12(4-3-11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50142517
PNG
(CHEMBL47885 | N-[4-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-1-2-12(4-3-11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 150n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase II by detecting the conversion of supercoiled pBR322 DNA to its relaxed for...


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142530
PNG
(3,4,5-Trihydroxy-N-phenyl-benzamide | CHEMBL43782)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H11NO4/c15-10-6-8(7-11(16)12(10)17)13(18)14-9-4-2-1-3-5-9/h1-7,15-17H,(H,14,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187098
PNG
(4-(3,4-dimethoxybenzylamino)-N-(2-aminophenyl)benz...)
Show SMILES COc1ccc(CNc2ccc(cc2)C(=O)Nc2ccccc2N)cc1OC
Show InChI InChI=1S/C22H23N3O3/c1-27-20-12-7-15(13-21(20)28-2)14-24-17-10-8-16(9-11-17)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 16: 4048-52 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.005
BindingDB Entry DOI: 10.7270/Q2CF9PP5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358256
PNG
(CHEMBL168946)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H20N2O4/c1-27-17-11-7-15(8-12-17)21(25)23-19-5-3-4-6-20(19)24-22(26)16-9-13-18(28-2)14-10-16/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 4.22E+3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187098
PNG
(4-(3,4-dimethoxybenzylamino)-N-(2-aminophenyl)benz...)
Show SMILES COc1ccc(CNc2ccc(cc2)C(=O)Nc2ccccc2N)cc1OC
Show InChI InChI=1S/C22H23N3O3/c1-27-20-12-7-15(13-21(20)28-2)14-24-17-10-8-16(9-11-17)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
BindingDB Entry DOI: 10.7270/Q2M32WMT
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142526
PNG
(CHEMBL44765 | N-[4-(3,4-dihydroxy-benzoylamino)-ph...)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C20H16N2O6/c23-15-7-1-11(9-17(15)25)19(27)21-13-3-5-14(6-4-13)22-20(28)12-2-8-16(24)18(26)10-12/h1-10,23-26H,(H,21,27)(H,22,28)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair