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3 similar compounds to monomer 48876

Compile data set for download or QSAR
Wt: 441.4
BDBM51298
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Wt: 441.4
BDBM50688
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Wt: 431.8
BDBM88881
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 51298,50688,88881   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM50688
PNG
(3-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-9-10-20(31-17)15-7-4-8-16(11-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-5-2-1-3-6-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PCBioAssay
n/an/a 4.12E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM51298
PNG
(4-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-10-11-20(31-17)15-6-8-16(9-7-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-4-2-1-3-5-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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PCBioAssay
n/an/a 3.24E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50688
PNG
(3-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-9-10-20(31-17)15-7-4-8-16(11-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-5-2-1-3-6-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
PDB
MMDB

NCI pathway
KEGG

B.MOAD
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n/an/a 1.55E+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
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM51298
PNG
(4-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-10-11-20(31-17)15-6-8-16(9-7-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-4-2-1-3-5-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
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n/an/a 2.92E+4n/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 (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50688
PNG
(3-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-9-10-20(31-17)15-7-4-8-16(11-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-5-2-1-3-6-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
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n/an/a 2.29E+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/Q2TQ5ZZB
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM50688
PNG
(3-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-9-10-20(31-17)15-7-4-8-16(11-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-5-2-1-3-6-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
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n/an/a 7.84E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM51298
PNG
(4-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-10-11-20(31-17)15-6-8-16(9-7-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-4-2-1-3-5-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
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n/an/a 4.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88881
PNG
((6E)-5-azanylidene-6-[[5-(3-chlorophenyl)furan-2-y...)
Show SMILES Clc1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C23H14ClN3O2S/c24-16-8-4-7-15(11-16)20-10-9-17(29-20)12-18-21(25)27-19(14-5-2-1-3-6-14)13-30-23(27)26-22(18)28/h1-13,25H/b18-12+,25-21?
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n/an/a 5.29E+4n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50688
PNG
(3-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-9-10-20(31-17)15-7-4-8-16(11-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-5-2-1-3-6-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
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n/an/a 1.58E+4n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM88881
PNG
((6E)-5-azanylidene-6-[[5-(3-chlorophenyl)furan-2-y...)
Show SMILES Clc1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C23H14ClN3O2S/c24-16-8-4-7-15(11-16)20-10-9-17(29-20)12-18-21(25)27-19(14-5-2-1-3-6-14)13-30-23(27)26-22(18)28/h1-13,25H/b18-12+,25-21?
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n/an/a 2.78E+4n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM50688
PNG
(3-[5-[(E)-(5-azanylidene-7-oxidanylidene-3-phenyl-...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1
Show InChI InChI=1S/C24H15N3O4S/c25-21-18(12-17-9-10-20(31-17)15-7-4-8-16(11-15)23(29)30)22(28)26-24-27(21)19(13-32-24)14-5-2-1-3-6-14/h1-13,25H,(H,29,30)/b18-12+,25-21?
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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)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair