Home
About
Info
Download
WebServices
Contact
Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
18
hits in this display
Target
Dihydrolipoyl dehydrogenase
(Mycobacterium tuberculosis)
Academia Sinica
US Patent
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >4.00E+3nM
pH: 7.0
Assay Description:
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
US Patent
Copy BDB DOI
Target
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
(Mycobacterium tuberculosis)
Academia Sinica
US Patent
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+3nM
pH: 7.0
Assay Description:
Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...
More data for this Ligand-Target Pair
Target Info
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
US Patent
Copy BDB DOI
Target
X-box-binding protein 1
(Homo sapiens (Human))
Emory University
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 5.21E+3nM
Assay Description:
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Caspase-9
(Homo sapiens (Human))
Burnham Center For Chemical Genomics
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 9.29E+3nM
Assay Description:
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
DNA damage-inducible transcript 3 protein
(Mus musculus)
Emory University
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 9.30E+3nM
Assay Description:
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...
More data for this Ligand-Target Pair
Target Info
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
DNA damage-inducible transcript 3 protein
(Mus musculus)
Emory University
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 9.30E+3nM
Assay Description:
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...
More data for this Ligand-Target Pair
Target Info
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Dual specificity protein phosphatase 1
(Homo sapiens (Human))
University Of Pittsburgh
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2.62E+4nM
pH: 7.0 T: 2°C
Assay Description:
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Dual specificity protein phosphatase 6
(Rattus norvegicus)
University Of Pittsburgh
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 3.75E+4nM
Assay Description:
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Apoptotic protease-activating factor 1
(Homo sapiens (Human))
Burnham Center For Chemical Genomics
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4.62E+4nM
Assay Description:
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
M-phase inducer phosphatase 2
(Homo sapiens (Human))
University Of Pittsburgh
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+4nM
Assay Description:
The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Dual specificity protein phosphatase 1
(Homo sapiens (Human))
University Of Pittsburgh
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+4nM
Assay Description:
The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Dual specificity protein phosphatase 1
(Homo sapiens (Human))
University Of Pittsburgh
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+4nM
Assay Description:
The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Dual specificity protein phosphatase 6
(Rattus norvegicus)
University Of Pittsburgh
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+4nM
Assay Description:
The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Dual specificity protein phosphatase 6
(Rattus norvegicus)
University Of Pittsburgh
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+4nM
Assay Description:
The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Dual specificity protein phosphatase 1
(Homo sapiens (Human))
University Of Pittsburgh
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+4nM
Assay Description:
The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Apoptotic protease-activating factor 1
(Homo sapiens (Human))
Burnham Center For Chemical Genomics
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+5nM
Assay Description:
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 1.26E+4nM
pH: 7.4 T: 2°C
Assay Description:
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM30768
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 3.14E+4nM
Assay Description:
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Networ...
More data for this Ligand-Target Pair
Target Info
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI