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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
Free fatty acid receptor 1
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50344080
(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
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Affinity Data
IC50: 49nM
Assay Description:
Inhibition of human GPR40 expressed in CHO cells by SPA based binding assay
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50344080
(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
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Affinity Data
IC50: 2.50E+4nM
Assay Description:
Inhibition of human ERG
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
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Target
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50344080
(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
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Affinity Data
IC50: 2.56E+4nM
Assay Description:
Inhibition of Cav1.2 calcium channel
More data for this Ligand-Target Pair
Target Info
PDB
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CHEMBL
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Target
Cytochrome P450 2C9
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50344080
(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
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Affinity Data
IC50: 2.80E+4nM
Assay Description:
Inhibition of CYP2C9
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
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Target
Cytochrome P450 2D6
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50344080
(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
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Affinity Data
IC50: >5.00E+4nM
Assay Description:
Inhibition of CYP2D6
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Cytochrome P450 3A4
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50344080
(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
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Affinity Data
IC50: >5.00E+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
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PC sid
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In Depth
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Article
PubMed
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Target
Free fatty acid receptor 1
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50344080
(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
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Affinity Data
EC50: 306nM
Assay Description:
Agonist activity at human GPR40 expressed in HEK293 cells assessed as [3H]IP3 production in presence of 10% human serum
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Free fatty acid receptor 1
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50344080
(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 113nM
Assay Description:
Agonist activity at human GPR40 expressed in CHO cells assessed as intracellular calcium mobilization by FLIPR assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Free fatty acid receptor 1
(Homo sapiens (Human))
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50344080
(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 349nM
Assay Description:
Agonist activity at human GPR40 expressed in HEK293 cells assessed as [3H]IP3 production in presence of 0.4% serum albumin
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Free fatty acid receptor 1
(Mus musculus)
Merck Research Laboratories
Curated by
ChEMBL
Ligand
BDBM50344080
(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 104nM
Assay Description:
Agonist activity at mouse GPR40 expressed in CHO cells assessed as intracellular calcium mobilization by FLIPR assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI