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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
10
hits in this display
Target
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50328894
(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
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Affinity Data
Ki: 3.00E+3nM
Assay Description:
Inhibition of human ERG channel expressed in HEK293 cells by patch clamp assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
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In Depth
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Article
PubMed
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Target
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50328894
(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
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Affinity Data
Ki: 3.16E+3nM
Assay Description:
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cells
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
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In Depth
Details
Article
PubMed
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Target
Cathepsin K
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50328894
(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
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Affinity Data
IC50: 3nM
Assay Description:
Inhibition of human recombinant cathepsin K using Z-Phe-Arg-MCA substrate by fluorimetric assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
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In Depth
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Article
PubMed
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Target
Cathepsin S
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50328894
(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
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Affinity Data
IC50: 16nM
Assay Description:
Inhibition of human recombinant cathepsin S
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
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PC sid
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Article
PubMed
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Target
Cathepsin B
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50328894
(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
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Affinity Data
IC50: 2.51E+3nM
Assay Description:
Inhibition of human recombinant cathepsin B
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
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In Depth
Details
Article
PubMed
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Target
Procathepsin L
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50328894
(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
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Affinity Data
IC50: 1.00E+4nM
Assay Description:
Inhibition of human recombinant cathepsin L
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
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In Depth
Details
Article
PubMed
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Target
Cytochrome P450 2C9
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50328894
(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
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Affinity Data
IC50: 3.50E+4nM
Assay Description:
Inhibition of CYP2C9
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
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In Depth
Details
Article
PubMed
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Target
Cytochrome P450 2C19
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50328894
(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
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Affinity Data
IC50: 3.50E+4nM
Assay Description:
Inhibition of CYP2C19
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
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In Depth
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Article
PubMed
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50328894
(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
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Affinity Data
IC50: 3.50E+4nM
Assay Description:
Inhibition of CYP3A4
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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Target
Cytochrome P450 1A2
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50328894
(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
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Affinity Data
IC50: 3.50E+4nM
Assay Description:
Inhibition of CYP1A2
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI