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3 similar compounds to monomer 46036

Compile data set for download or QSAR
Wt: 409.5
BDBM44433
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Wt: 366.4
BDBM44434
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Wt: 416.9
BDBM46654
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 44433,44434,46654   
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
Eph receptor A4


(Mus musculus)
BDBM44433
PNG
(2-cyano-2-[3-(4-ethyl-1-piperazinyl)-2-quinoxaliny...)
Show SMILES CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1
Show InChI InChI=1S/C23H31N5O2/c1-3-5-6-9-16-30-23(29)18(17-24)21-22(28-14-12-27(4-2)13-15-28)26-20-11-8-7-10-19(20)25-21/h7-8,10-11,18H,3-6,9,12-16H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44434
PNG
(2-cyano-2-(3-piperidinoquinoxalin-2-yl)acetic acid...)
Show SMILES CCC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
Show InChI InChI=1S/C21H26N4O2/c1-3-15(2)14-27-21(26)16(13-22)19-20(25-11-7-4-8-12-25)24-18-10-6-5-9-17(18)23-19/h5-6,9-10,15-16H,3-4,7-8,11-12,14H2,1-2H3
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n/an/a 1.75E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44433
PNG
(2-cyano-2-[3-(4-ethyl-1-piperazinyl)-2-quinoxaliny...)
Show SMILES CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1
Show InChI InChI=1S/C23H31N5O2/c1-3-5-6-9-16-30-23(29)18(17-24)21-22(28-14-12-27(4-2)13-15-28)26-20-11-8-7-10-19(20)25-21/h7-8,10-11,18H,3-6,9,12-16H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM44434
PNG
(2-cyano-2-(3-piperidinoquinoxalin-2-yl)acetic acid...)
Show SMILES CCC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
Show InChI InChI=1S/C21H26N4O2/c1-3-15(2)14-27-21(26)16(13-22)19-20(25-11-7-4-8-12-25)24-18-10-6-5-9-17(18)23-19/h5-6,9-10,15-16H,3-4,7-8,11-12,14H2,1-2H3
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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
phosphomannomutase 2


(Homo sapiens (Human))
BDBM46654
PNG
(MLS-0315804.0001 | N-(4-chlorophenyl)-3-(3-keto-1,...)
Show SMILES Clc1ccc(NS(=O)(=O)c2cccc(c2)-n2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C19H13ClN2O3S2/c20-13-8-10-14(11-9-13)21-27(24,25)16-5-3-4-15(12-16)22-19(23)17-6-1-2-7-18(17)26-22/h1-12,21H
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n/an/a 9.44E+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/Q2CJ8BWC
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens (Human))
BDBM46654
PNG
(MLS-0315804.0001 | N-(4-chlorophenyl)-3-(3-keto-1,...)
Show SMILES Clc1ccc(NS(=O)(=O)c2cccc(c2)-n2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C19H13ClN2O3S2/c20-13-8-10-14(11-9-13)21-27(24,25)16-5-3-4-15(12-16)22-19(23)17-6-1-2-7-18(17)26-22/h1-12,21H
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n/an/a 8.20E+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/Q27S7M52
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM46654
PNG
(MLS-0315804.0001 | N-(4-chlorophenyl)-3-(3-keto-1,...)
Show SMILES Clc1ccc(NS(=O)(=O)c2cccc(c2)-n2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C19H13ClN2O3S2/c20-13-8-10-14(11-9-13)21-27(24,25)16-5-3-4-15(12-16)22-19(23)17-6-1-2-7-18(17)26-22/h1-12,21H
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n/an/a 1.59E+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/Q2J964TC
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44434
PNG
(2-cyano-2-(3-piperidinoquinoxalin-2-yl)acetic acid...)
Show SMILES CCC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
Show InChI InChI=1S/C21H26N4O2/c1-3-15(2)14-27-21(26)16(13-22)19-20(25-11-7-4-8-12-25)24-18-10-6-5-9-17(18)23-19/h5-6,9-10,15-16H,3-4,7-8,11-12,14H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair