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3 similar compounds to monomer 80796

Compile data set for download or QSAR
Wt: 285.3
BDBM57988
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Wt: 321.3
BDBM80786
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Wt: 299.3
BDBM80787

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 57988,80786,80787   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57988
PNG
((2-fluorophenyl)-(5-phenyl-6H-1,3,4-thiadiazin-2-y...)
Show SMILES Fc1ccccc1NC1=NN=C(CS1)c1ccccc1
Show InChI InChI=1S/C15H12FN3S/c16-12-8-4-5-9-13(12)17-15-19-18-14(10-20-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
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
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM80786
PNG
(5-(2,5-difluorophenyl)-N-(4-fluorophenyl)-6H-1,3,4...)
Show SMILES Fc1ccc(NC2=NN=C(CS2)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C15H10F3N3S/c16-9-1-4-11(5-2-9)19-15-21-20-14(8-22-15)12-7-10(17)3-6-13(12)18/h1-7H,8H2,(H,19,21)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.57E+4n/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/Q2R78CQV
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM80787
PNG
(5-(2-fluorophenyl)-N-(2-methylphenyl)-6H-1,3,4-thi...)
Show SMILES Cc1ccccc1NC1=NN=C(CS1)c1ccccc1F
Show InChI InChI=1S/C16H14FN3S/c1-11-6-2-5-9-14(11)18-16-20-19-15(10-21-16)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H,18,20)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.70E+4n/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/Q2R78CQV
More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM57988
PNG
((2-fluorophenyl)-(5-phenyl-6H-1,3,4-thiadiazin-2-y...)
Show SMILES Fc1ccccc1NC1=NN=C(CS1)c1ccccc1
Show InChI InChI=1S/C15H12FN3S/c16-12-8-4-5-9-13(12)17-15-19-18-14(10-20-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.97E+4n/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/Q2765CSM
More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM80786
PNG
(5-(2,5-difluorophenyl)-N-(4-fluorophenyl)-6H-1,3,4...)
Show SMILES Fc1ccc(NC2=NN=C(CS2)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C15H10F3N3S/c16-9-1-4-11(5-2-9)19-15-21-20-14(8-22-15)12-7-10(17)3-6-13(12)18/h1-7H,8H2,(H,19,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.89E+4n/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/Q2765CSM
More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM80787
PNG
(5-(2-fluorophenyl)-N-(2-methylphenyl)-6H-1,3,4-thi...)
Show SMILES Cc1ccccc1NC1=NN=C(CS1)c1ccccc1F
Show InChI InChI=1S/C16H14FN3S/c1-11-6-2-5-9-14(11)18-16-20-19-15(10-21-16)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.32E+4n/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/Q2765CSM
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM57988
PNG
((2-fluorophenyl)-(5-phenyl-6H-1,3,4-thiadiazin-2-y...)
Show SMILES Fc1ccccc1NC1=NN=C(CS1)c1ccccc1
Show InChI InChI=1S/C15H12FN3S/c16-12-8-4-5-9-13(12)17-15-19-18-14(10-20-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.02E+4n/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/Q2R78CQV
More data for this
Ligand-Target Pair