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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
4
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Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human))
Pfizer
Ligand
BDBM34010
(benzothiophene carboxamide, 18b)
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Affinity Data
Ki: 179nM ΔG°: -37.2kJ/mole
pH: 7.5 T: 2°C
Assay Description:
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...
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
MMDB
PC cid
PC sid
PDB
Patents
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In Depth
Details
Article
PubMed
MMDB
PDB
3D Structure (crystal)
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Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human))
Pfizer
Ligand
BDBM34010
(benzothiophene carboxamide, 18b)
Copy SMILES
Copy InChI
Affinity Data
IC50: 180nM
Assay Description:
Inhibition of Pin1 (unknown origin)
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
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
MMDB
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human))
Pfizer
Ligand
BDBM34010
(benzothiophene carboxamide, 18b)
Copy SMILES
Copy InChI
Affinity Data
IC50: <300nM
Assay Description:
Displacement of FITC-WFYpSPFLE from human Pin1 (45-163) catalytic domain by fluorescence polarization 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
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
MMDB
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human))
Pfizer
Ligand
BDBM34010
(benzothiophene carboxamide, 18b)
Copy SMILES
Copy InChI
Affinity Data
Kd: 72nM
Assay Description:
Binding affinity to full length Pin 1 (unknown origin) by isothermal titration calorimetry method
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
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
MMDB
PDB
3D Structure (crystal)
Copy BDB DOI