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SMILES: COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C

InChI Key: InChIKey=LOVGAQIEXBOEEJ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 61198   
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
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM61198
PNG
(2-methoxybenzaldehyde [2,6-bis(dimethylamino)pyrim...)
Show SMILES COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|
Show InChI InChI=1S/C16H22N6O/c1-21(2)15-10-14(18-16(19-15)22(3)4)20-17-11-12-8-6-7-9-13(12)23-5/h6-10H,11H2,1-5H3
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n/an/a 1.00E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61198
PNG
(2-methoxybenzaldehyde [2,6-bis(dimethylamino)pyrim...)
Show SMILES COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|
Show InChI InChI=1S/C16H22N6O/c1-21(2)15-10-14(18-16(19-15)22(3)4)20-17-11-12-8-6-7-9-13(12)23-5/h6-10H,11H2,1-5H3
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n/an/a 2.09E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit


(Homo sapiens (Human))
BDBM61198
PNG
(2-methoxybenzaldehyde [2,6-bis(dimethylamino)pyrim...)
Show SMILES COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|
Show InChI InChI=1S/C16H22N6O/c1-21(2)15-10-14(18-16(19-15)22(3)4)20-17-11-12-8-6-7-9-13(12)23-5/h6-10H,11H2,1-5H3
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n/an/a 6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM61198
PNG
(2-methoxybenzaldehyde [2,6-bis(dimethylamino)pyrim...)
Show SMILES COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|
Show InChI InChI=1S/C16H22N6O/c1-21(2)15-10-14(18-16(19-15)22(3)4)20-17-11-12-8-6-7-9-13(12)23-5/h6-10H,11H2,1-5H3
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n/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM61198
PNG
(2-methoxybenzaldehyde [2,6-bis(dimethylamino)pyrim...)
Show SMILES COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|
Show InChI InChI=1S/C16H22N6O/c1-21(2)15-10-14(18-16(19-15)22(3)4)20-17-11-12-8-6-7-9-13(12)23-5/h6-10H,11H2,1-5H3
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n/an/a 2.63E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM61198
PNG
(2-methoxybenzaldehyde [2,6-bis(dimethylamino)pyrim...)
Show SMILES COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|
Show InChI InChI=1S/C16H22N6O/c1-21(2)15-10-14(18-16(19-15)22(3)4)20-17-11-12-8-6-7-9-13(12)23-5/h6-10H,11H2,1-5H3
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n/an/a 8.06E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Homo sapiens (Human))
BDBM61198
PNG
(2-methoxybenzaldehyde [2,6-bis(dimethylamino)pyrim...)
Show SMILES COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|
Show InChI InChI=1S/C16H22N6O/c1-21(2)15-10-14(18-16(19-15)22(3)4)20-17-11-12-8-6-7-9-13(12)23-5/h6-10H,11H2,1-5H3
PDB
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UniProtKB/SwissProt

B.MOAD
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PC cid
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UniChem

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n/an/a 7.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair