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null
SMILES
COc1cc2nccc(N3CCC(CCS(C)(=N)=O)CC3)c2cc1Cl
InChI Key
Tab Delimited (
TSV
)
2D SDfile
Computed 3D by
Vconf
-m prep SDfile
Find this compound or compounds like it in BindingDB:
GO
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
4
hits for monomerid = 624566
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human))
TBA
Ligand
BDBM624566
(US11780849, Compound 141 | {2-[1-(6-chloro-7-metho...)
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Affinity Data
Ki: <3nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human))
TBA
Ligand
BDBM624566
(US11780849, Compound 141 | {2-[1-(6-chloro-7-metho...)
copy SMILES
Affinity Data
Ki: 250nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human))
TBA
Ligand
BDBM624566
(US11780849, Compound 141 | {2-[1-(6-chloro-7-metho...)
copy SMILES
Affinity Data
IC50: 2.10E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human))
TBA
Ligand
BDBM624566
(US11780849, Compound 141 | {2-[1-(6-chloro-7-metho...)
copy SMILES
Affinity Data
IC50: 10nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details