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6 similar compounds to monomer 31044

Compile data set for download or QSAR
Wt: 303.3
BDBM50296071
Wt: 319.3
BDBM50296072
Wt: 331.3
BDBM50296050
Wt: 347.3
BDBM50296051
Wt: 354.1
BDBM50438915
Wt: 289.3
BDBM50438916

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50296071,50296072,50296050,50296051,50438915,50438916   
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
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50438915
PNG
(CHEMBL2420613)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cc(Br)cs1
Show InChI InChI=1S/C11H8BrN5O2S/c1-16-10(18)7-9(14-11(16)19)17(2)15-8(13-7)6-3-5(12)4-20-6/h3-4H,1-2H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50438916
PNG
(CHEMBL2420612)
Show SMILES Cc1csc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C12H11N5O2S/c1-6-4-7(20-5-6)9-13-8-10(17(3)15-9)14-12(19)16(2)11(8)18/h4-5H,1-3H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438915
PNG
(CHEMBL2420613)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cc(Br)cs1
Show InChI InChI=1S/C11H8BrN5O2S/c1-16-10(18)7-9(14-11(16)19)17(2)15-8(13-7)6-3-5(12)4-20-6/h3-4H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 200n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50296072
PNG
(1-ethyl-6-methyl-3-(5-methylthiophen-2-yl)-5,7-dio...)
Show SMILES CCn1nc(-c2ccc(C)s2)[n+]([O-])c2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C13H13N5O3S/c1-4-17-11-9(12(19)16(3)13(20)14-11)18(21)10(15-17)8-6-5-7(2)22-8/h5-6H,4H2,1-3H3
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n/an/an/an/a 1.16E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Bioorg Med Chem Lett 19: 4303-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.073
BindingDB Entry DOI: 10.7270/Q2HD7VPC
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50296050
PNG
(1-butyl-6-methyl-3-(5-methylthiophen-2-yl)pyrimido...)
Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(C)s1
Show InChI InChI=1S/C15H17N5O2S/c1-4-5-8-20-13-11(14(21)19(3)15(22)17-13)16-12(18-20)10-7-6-9(2)23-10/h6-7H,4-5,8H2,1-3H3
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n/an/an/an/a 1.68E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Bioorg Med Chem Lett 19: 4303-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.073
BindingDB Entry DOI: 10.7270/Q2HD7VPC
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50296051
PNG
(1-butyl-6-methyl-3-(5-methylthiophen-2-yl)-5,7-dio...)
Show SMILES CCCCn1nc(-c2ccc(C)s2)[n+]([O-])c2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C15H17N5O3S/c1-4-5-8-19-13-11(14(21)18(3)15(22)16-13)20(23)12(17-19)10-7-6-9(2)24-10/h6-7H,4-5,8H2,1-3H3
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n/an/an/an/a 8.60E+3n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Bioorg Med Chem Lett 19: 4303-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.073
BindingDB Entry DOI: 10.7270/Q2HD7VPC
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50296071
PNG
(1-ethyl-6-methyl-3-(5-methylthiophen-2-yl)pyrimido...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(C)s1
Show InChI InChI=1S/C13H13N5O2S/c1-4-18-11-9(12(19)17(3)13(20)15-11)14-10(16-18)8-6-5-7(2)21-8/h5-6H,4H2,1-3H3
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n/an/an/an/a 1.73E+4n/an/an/an/a



CytRx Corporation

Curated by ChEMBL


Assay Description
Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...


Bioorg Med Chem Lett 19: 4303-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.073
BindingDB Entry DOI: 10.7270/Q2HD7VPC
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438916
PNG
(CHEMBL2420612)
Show SMILES Cc1csc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C12H11N5O2S/c1-6-4-7(20-5-6)9-13-8-10(17(3)15-9)14-12(19)16(2)11(8)18/h4-5H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 250n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair