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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 283.7
BDBM48679
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Eukaryotic translation initiation factor 4 gamma 1


(Homo sapiens (Human))
BDBM48679
PNG
(2-[(4-chlorophenyl)hydrazinylidene]-3-oxidanyliden...)
Show SMILES Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1 |w:6.5|
Show InChI InChI=1S/C15H10ClN3O/c16-12-6-8-13(9-7-12)18-19-14(10-17)15(20)11-4-2-1-3-5-11/h1-9,18H
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PCBioAssay
n/an/a 6.40E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM48679
PNG
(2-[(4-chlorophenyl)hydrazinylidene]-3-oxidanyliden...)
Show SMILES Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1 |w:6.5|
Show InChI InChI=1S/C15H10ClN3O/c16-12-6-8-13(9-7-12)18-19-14(10-17)15(20)11-4-2-1-3-5-11/h1-9,18H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.06E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM48679
PNG
(2-[(4-chlorophenyl)hydrazinylidene]-3-oxidanyliden...)
Show SMILES Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1 |w:6.5|
Show InChI InChI=1S/C15H10ClN3O/c16-12-6-8-13(9-7-12)18-19-14(10-17)15(20)11-4-2-1-3-5-11/h1-9,18H
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PC cid
PC sid
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PCBioAssay
n/an/an/an/a 9.92E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM48679
PNG
(2-[(4-chlorophenyl)hydrazinylidene]-3-oxidanyliden...)
Show SMILES Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1 |w:6.5|
Show InChI InChI=1S/C15H10ClN3O/c16-12-6-8-13(9-7-12)18-19-14(10-17)15(20)11-4-2-1-3-5-11/h1-9,18H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.38E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair