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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
5
hits in this display
Target
NPC1-like intracellular cholesterol transporter 1
(Homo sapiens (Human))
Merck
Curated by
ChEMBL
Ligand
BDBM50258480
(((2S,4S)-1-benzoyl-4-phenylpyrrolidin-2-yl)(spiro[...)
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Affinity Data
IC50: 660nM
Assay Description:
Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
NPC1-like intracellular cholesterol transporter 1
(Homo sapiens (Human))
Merck
Curated by
ChEMBL
Ligand
BDBM50258480
(((2S,4S)-1-benzoyl-4-phenylpyrrolidin-2-yl)(spiro[...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 5.30E+3nM
Assay Description:
Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus)
Merck
Curated by
ChEMBL
Ligand
BDBM50258480
(((2S,4S)-1-benzoyl-4-phenylpyrrolidin-2-yl)(spiro[...)
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Copy InChI
Affinity Data
IC50: 3.40E+4nM
Assay Description:
Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Niemann-Pick C1-like 1 protein
(Macaca mulatta)
Merck
Curated by
ChEMBL
Ligand
BDBM50258480
(((2S,4S)-1-benzoyl-4-phenylpyrrolidin-2-yl)(spiro[...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 1.46E+5nM
Assay Description:
Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Niemann-Pick C1-like 1 protein
(Canis familiaris)
Merck
Curated by
ChEMBL
Ligand
BDBM50258480
(((2S,4S)-1-benzoyl-4-phenylpyrrolidin-2-yl)(spiro[...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+5nM
Assay Description:
Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
In Depth
Details
Article
PubMed
Copy BDB DOI