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Target
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EC50
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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 1' and Ligand = 'BDBM624502'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human))
BDBM624502
(8-(7-methoxyquinolin-4-yl)-2-(S- methylsulfonimido...)
Show SMILES
COc1ccc2c(ccnc2c1)N1CCC2(CCN(C2)S(C)(=N)=O)CC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
PC cid
PC sid
UniChem
<3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human))
BDBM624502
(8-(7-methoxyquinolin-4-yl)-2-(S- methylsulfonimido...)
Show SMILES
COc1ccc2c(ccnc2c1)N1CCC2(CCN(C2)S(C)(=N)=O)CC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
140
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human))
BDBM624502
(8-(7-methoxyquinolin-4-yl)-2-(S- methylsulfonimido...)
Show SMILES
COc1ccc2c(ccnc2c1)N1CCC2(CCN(C2)S(C)(=N)=O)CC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
<10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human))
BDBM624502
(8-(7-methoxyquinolin-4-yl)-2-(S- methylsulfonimido...)
Show SMILES
COc1ccc2c(ccnc2c1)N1CCC2(CCN(C2)S(C)(=N)=O)CC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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