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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
11
hits in this display
Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
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Affinity Data
Ki: 350nM
More data for this Ligand-Target Pair
Target Info
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antibodypedia
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Ligand Info
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Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 820nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
MMDB
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PC sid
PDB
Patents
In Depth
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Article
PubMed
DrugBank
Copy BDB DOI
Target
Prostaglandin G/H synthase 1
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 1.08E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
Patents
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 1.30E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
Patents
In Depth
Details
Article
PubMed
DrugBank
Copy BDB DOI
Target
Prostaglandin G/H synthase 2
(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry
Curated by
PDSP K
i
Database
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 2.25E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
Patents
In Depth
Details
Article
PubMed
DrugBank
Copy BDB DOI
Target
Lactoylglutathione lyase
(Homo sapiens (Human))
Sun Yat-Sen University
Curated by
ChEMBL
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
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Affinity Data
Ki: 8.78E+4nM
Assay Description:
Inhibition of glyoxalase 1
More data for this Ligand-Target Pair
Target Info
PDB
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UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
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ChEBI
CHEMBL
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PC sid
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In Depth
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Article
PubMed
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Target
Lactoylglutathione lyase
(Homo sapiens (Human))
Sun Yat-Sen University
Curated by
ChEMBL
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
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Affinity Data
Ki: 8.78E+4nM
Assay Description:
Inhibition of human glyoxalase 1
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
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ChEBI
CHEMBL
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PC sid
PDB
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In Depth
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Article
PubMed
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Target
Albumin
(Homo sapiens (Human))
Molecular Discovery
Curated by
ChEMBL
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
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Affinity Data
Ki: 4.16E+5nM
Assay Description:
Binding affinity towards human serum albumin
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
Patents
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Lactoylglutathione lyase
(Homo sapiens (Human))
Sun Yat-Sen University
Curated by
ChEMBL
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
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Affinity Data
Ki: 1.01E+6nM
Assay Description:
Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
Patents
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Interleukin-8
(Homo sapiens (Human))
Grupo Uriach
Curated by
ChEMBL
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
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Affinity Data
IC50: 90nM
Assay Description:
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
Patents
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human))
TBA
Ligand
BDBM50295287
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
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Affinity Data
IC50: 2.39E+3nM
Assay Description:
Inhibition of Homo sapiens (human) aldose reductase
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
Patents
In Depth
Details
Article
PDB
3D Structure (crystal)
Copy BDB DOI