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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 11346   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608782
PNG
(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Show SMILES COc1cc2ncnc(N3CCC(CCP(O)(O)=O)CC3)c2cc1OC
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608815
PNG
(US11701371, Compound 100 | US11707471, Compound 10...)
Show SMILES Cc1nccn1-c1cc(ncn1)N1CCN(CCP(O)(O)=O)CC1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608783
PNG
(US11701371, Compound 5 | US11707471, Compound 5 | ...)
Show SMILES Oc1ccc2c(ncnc2c1)N1CCC(CCP(O)(O)=O)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608784
PNG
(US11701371, Compound 7 | US11707471, Compound 7 | ...)
Show SMILES COc1cc(OC)c2ncnc(N3CCC(CCP(O)(O)=O)CC3)c2c1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608785
PNG
(US11701371, Compound 10 | US11707471, Compound 10 ...)
Show SMILES COc1ccc2c(ncnc2c1)N1CCC(CCP(O)(O)=O)CC1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608785
PNG
(US11701371, Compound 10 | US11707471, Compound 10 ...)
Show SMILES COc1ccc2c(ncnc2c1)N1CCC(CCP(O)(O)=O)CC1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608782
PNG
(US11701371, Compound 1 | US11707471, Compound 1 | ...)
Show SMILES COc1cc2ncnc(N3CCC(CCP(O)(O)=O)CC3)c2cc1OC
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608814
PNG
(US11701371, Compound 93 | US11707471, Compound 93 ...)
Show SMILES Cc1nccn1-c1cc(ncn1)N1CCC(CCP(O)(O)=O)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608813
PNG
(US11701371, Compound 88 | US11707471, Compound 88 ...)
Show SMILES COc1cc2ncnc(N3CCC(CP(O)(O)=O)CC3)c2cc1OC
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608812
PNG
(US11701371, Compound 87 | US11707471, Compound 87 ...)
Show SMILES COc1cc2ncnc(N3CCC(CCB(O)O)CC3)c2cc1OC
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608811
PNG
(US11701371, Compound 86 | US11707471, Compound 86 ...)
Show SMILES COc1cccc2c(ncnc12)N1CCC(COP(O)(O)=O)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608810
PNG
(US11701371, Compound 84 | US11707471, Compound 84 ...)
Show SMILES OP(O)(=O)CCC1CCN(CC1)c1ncnc2cc(Cl)ccc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608809
PNG
(US11701371, Compound 83 | US11707471, Compound 83 ...)
Show SMILES COc1cc2ncnc(N3CCC(CCP(O)(O)=S)CC3)c2cc1OC
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608808
PNG
(US11701371, Compound 82 | US11707471, Compound 82 ...)
Show SMILES COc1cc2ncnc([C@H]3CC[C@H](CCP(O)(O)=O)CC3)c2cc1OC |r,wU:9.8,wD:12.12,(-5.28,-5.55,;-4.1,-6.54,;-2.77,-5.78,;-1.44,-6.54,;-.1,-5.78,;1.23,-6.54,;2.56,-5.78,;2.56,-4.23,;1.23,-3.47,;1.23,-1.93,;-.1,-1.15,;-.1,.38,;1.23,1.15,;1.23,2.69,;2.56,3.47,;2.56,5,;4.1,5,;1.02,5,;2.56,6.54,;2.56,.38,;2.56,-1.15,;-.1,-4.23,;-1.44,-3.47,;-2.77,-4.23,;-4.1,-3.47,;-3.84,-1.95,)|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608807
PNG
(US11701371, Compound 81 | US11707471, Compound 81 ...)
Show SMILES COc1cc2ncnc([C@@H]3CC[C@H](CCP(O)(O)=O)CC3)c2cc1OC |r,wU:12.12,9.8,(-5.28,-5.55,;-4.1,-6.54,;-2.77,-5.78,;-1.44,-6.54,;-.1,-5.78,;1.23,-6.54,;2.56,-5.78,;2.56,-4.23,;1.23,-3.47,;1.23,-1.93,;2.56,-1.15,;2.56,.38,;1.23,1.15,;1.23,2.69,;2.56,3.47,;2.56,5,;4.1,5,;1.02,5,;2.56,6.54,;-.1,.38,;-.1,-1.15,;-.1,-4.23,;-1.44,-3.47,;-2.77,-4.23,;-4.1,-3.47,;-3.84,-1.95,)|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608806
PNG
(US11701371, Compound 76 | US11707471, Compound 76 ...)
Show SMILES COc1cccc2c(ncnc12)N1CCC(CCP(O)(O)=O)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608787
PNG
(US11701371, Compound 12 | US11707471, Compound 12 ...)
Show SMILES COc1ccc2c(nc(C)nc2c1)N1CCC(CCP(O)(O)=O)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608790
PNG
(US11701371, Compound 18 | US11707471, Compound 18 ...)
Show SMILES COc1ccc2c(nc(\C=C\c3cccnc3)nc2c1)N1CCC(CCP(O)(O)=O)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608790
PNG
(US11701371, Compound 18 | US11707471, Compound 18 ...)
Show SMILES COc1ccc2c(nc(\C=C\c3cccnc3)nc2c1)N1CCC(CCP(O)(O)=O)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608791
PNG
(US11701371, Compound 19 | US11707471, Compound 19 ...)
Show SMILES COc1ccc2ncnc(N3CCC(CCP(O)(O)=O)CC3)c2c1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608792
PNG
(US11701371, Compound 22 | US11707471, Compound 22 ...)
Show SMILES COc1ccc2c(ncnc2c1OC)N1CCC(CCP(O)(O)=O)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608794
PNG
(US11701371, Compound 25 | US11707471, Compound 25 ...)
Show SMILES OP(O)(=O)CCC1CCN(CC1)c1ncnc2ccccc12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608795
PNG
(US11701371, Compound 30 | US11707471, Compound 30 ...)
Show SMILES Nc1ccc2c(ncnc2c1)N1CCC(CCP(O)(O)=O)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608796
PNG
(US11701371, Compound 38 | US11707471, Compound 38 ...)
Show SMILES COc1cc2ccnc(N3CCC(CCP(O)(O)=O)CC3)c2cc1OC
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608798
PNG
(US11701371, Compound 60 | US11707471, Compound 60 ...)
Show SMILES COc1cc2ncnc(N3CCC(COP(O)(O)=O)CC3)c2cc1OC
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608800
PNG
(US11701371, Compound 67 | US11707471, Compound 67 ...)
Show SMILES COc1cc2ncnc(N3CCC(COP(O)(O)=S)CC3)c2cc1OC
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608802
PNG
(US11701371, Compound 70 | US11707471, Compound 70 ...)
Show SMILES OP(O)(=O)CCC1CCN(CC1)c1ncnc2cccc(F)c12
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608803
PNG
(US11701371, Compound 71 | US11707471, Compound 71 ...)
Show SMILES COc1cc2nccc(N3CCC(CCP(O)(O)=O)CC3)c2cc1OC
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608805
PNG
(US11701371, Compound 75 | US11707471, Compound 75 ...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)CP(O)(O)=O)c2cc1OC
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608806
PNG
(US11701371, Compound 76 | US11707471, Compound 76 ...)
Show SMILES COc1cccc2c(ncnc12)N1CCC(CCP(O)(O)=O)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608793
PNG
(US11701371, Compound 23 | US11707471, Compound 23 ...)
Show SMILES Oc1ccc2ncnc(N3CCC(CCP(O)(O)=O)CC3)c2c1
PDB

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n/an/a 2.75E+3n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608805
PNG
(US11701371, Compound 75 | US11707471, Compound 75 ...)
Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=O)CP(O)(O)=O)c2cc1OC
PDB

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n/an/a 2.75E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608799
PNG
(US11701371, Compound 61 | US11707471, Compound 61 ...)
Show SMILES COc1cc2ncnc(N3CCC(CC(=O)NO)CC3)c2cc1OC
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608787
PNG
(US11701371, Compound 12 | US11707471, Compound 12 ...)
Show SMILES COc1ccc2c(nc(C)nc2c1)N1CCC(CCP(O)(O)=O)CC1
PDB

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n/an/a 2.75E+3n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608801
PNG
(US11701371, Compound 68 | US11707471, Compound 68 ...)
Show SMILES OP(O)(=O)CCC1CCN(CC1)c1ncnc2nc[nH]c12
PDB

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n/an/a 2.75E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608789
PNG
(US11701371, Compound 16 | US11707471, Compound 16 ...)
Show SMILES COc1ccc(OC)c2c(ncnc12)N1CCC(CCP(O)(O)=O)CC1
PDB

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n/an/a 2.75E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608788
PNG
(US11701371, Compound 13 | US11707471, Compound 13 ...)
Show SMILES OP(O)(=O)CCC1CCN(CC1)c1ncnc2cc3OCCOc3cc12
PDB

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n/an/a 2.75E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608786
PNG
(US11701371, Compound 11 | US11707471, Compound 11 ...)
Show SMILES CC(C)Oc1ccc2c(ncnc2c1)N1CCC(CCP(O)(O)=O)CC1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608797
PNG
(US11701371, Compound 42 | US11707471, Compound 42 ...)
Show SMILES COc1ccc2c(ncnc2c1)N1CCN(CCP(O)(O)=O)CC1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM608804
PNG
(US11701371, Compound 73 | US11707471, Compound 73 ...)
Show SMILES CNC(=O)NCC1CCN(CC1)c1ncnc2cc(OC)c(OC)cc12
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2TGH
More data for this
Ligand-Target Pair