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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
6
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Target
Mevalonate kinase
(Streptococcus pneumoniae D39)
Srmlsc
Curated by
PubChem BioAssay
Ligand
BDBM31037
(1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...)
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Affinity Data
IC50: 1.54E+5nM
Assay Description:
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
Ligand Info
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PC sid
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PCBioAssay
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Target
Mevalonate kinase
(Streptococcus pneumoniae D39)
Srmlsc
Curated by
PubChem BioAssay
Ligand
BDBM31037
(1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+7nM
Assay Description:
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI
Target
Mevalonate kinase
(Streptococcus pneumoniae D39)
Srmlsc
Curated by
PubChem BioAssay
Ligand
BDBM31037
(1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+7nM
Assay Description:
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
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
BDBM31037
(1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 5.00E+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
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PC cid
PC sid
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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
BDBM31037
(1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...)
Copy SMILES
Copy InChI
Affinity Data
EC50: >4.00E+4nM
Assay Description:
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...
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
Target
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM31037
(1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 5.00E+4nM
pH: 7.4 T: 2°C
Assay Description:
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
PCBioAssay
Copy BDB DOI