BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 308.2
BDBM50091995
Purchase

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

Found 6 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
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM50091995
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-p...)
Show SMILES Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.48E+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/Q2Z899VD
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50091995
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-p...)
Show SMILES Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.20E+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/Q2PR7TDC
More data for this
Ligand-Target Pair
DNA polymerase catalytic subunit


(Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)
BDBM50091995
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-p...)
Show SMILES Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase


Bioorg Med Chem Lett 10: 2079-81 (2000)


BindingDB Entry DOI: 10.7270/Q2222T0M
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50091995
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-p...)
Show SMILES Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Human alpha polymerase


Bioorg Med Chem Lett 10: 2079-81 (2000)


BindingDB Entry DOI: 10.7270/Q2222T0M
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50091995
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-p...)
Show SMILES Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a>3.54E+4n/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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50091995
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-p...)
Show SMILES Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a>3.54E+4n/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