BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 327.7
BDBM50543
Purchase

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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50543
PNG
(3-[(3-chloro-1,4-diketo-2-naphthyl)amino]benzoic a...)
Show SMILES OC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 |c:9|
Show InChI InChI=1S/C17H10ClNO4/c18-13-14(19-10-5-3-4-9(8-10)17(22)23)16(21)12-7-2-1-6-11(12)15(13)20/h1-8,19H,(H,22,23)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.66E+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
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50543
PNG
(3-[(3-chloro-1,4-diketo-2-naphthyl)amino]benzoic a...)
Show SMILES OC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 |c:9|
Show InChI InChI=1S/C17H10ClNO4/c18-13-14(19-10-5-3-4-9(8-10)17(22)23)16(21)12-7-2-1-6-11(12)15(13)20/h1-8,19H,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.43E+4n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdc25B (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111719
BindingDB Entry DOI: 10.7270/Q2D221X9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50543
PNG
(3-[(3-chloro-1,4-diketo-2-naphthyl)amino]benzoic a...)
Show SMILES OC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 |c:9|
Show InChI InChI=1S/C17H10ClNO4/c18-13-14(19-10-5-3-4-9(8-10)17(22)23)16(21)12-7-2-1-6-11(12)15(13)20/h1-8,19H,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.29E+4n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111719
BindingDB Entry DOI: 10.7270/Q2D221X9
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7


(Homo sapiens (Human))
BDBM50543
PNG
(3-[(3-chloro-1,4-diketo-2-naphthyl)amino]benzoic a...)
Show SMILES OC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 |c:9|
Show InChI InChI=1S/C17H10ClNO4/c18-13-14(19-10-5-3-4-9(8-10)17(22)23)16(21)12-7-2-1-6-11(12)15(13)20/h1-8,19H,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.90E+3n/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Binding affinity to MKK7 (unknown origin) expressed in HEK293 cells assessed as dissociation constant by kinomescan method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111719
BindingDB Entry DOI: 10.7270/Q2D221X9
More data for this
Ligand-Target Pair