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Compile Data Set for Download or QSAR

Found 206 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1418   
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 2


(Homo sapiens (Human))
BDBM322065
PNG
(1-(4-(5-(1H-1,2,3-Triazol-4-yl)pentyl)piperidin-1-...)
Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCCCCc3c[nH]nn3)CC2)C(F)(F)F)n1
PDB

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US Patent
n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321962
PNG
((R,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...)
Show SMILES C[C@@H]1CN(Cc2coc(C)n2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r|
PDB

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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321944
PNG
((E)-1-(4-((1-Methyl-1H-pyrazol-4-yl)methyl)piperaz...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3cnn(C)c3)CC2)C(F)(F)F)n1
PDB

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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322066
PNG
(1-(4-(5-(1H-1,2,3-Triazol-4-yl)pentyl)piperidin-1-...)
Show SMILES Cc1nnn(Cc2cc(ccc2OCC(=O)N2CCC(CCCCCc3c[nH]nn3)CC2)C(F)(F)F)n1
PDB

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n/an/a 2.40n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322063
PNG
((E)-N-(1-(3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-y...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)n1
PDB

KEGG

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n/an/a 3.10n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321868
PNG
(US10183025, Example 5a | US9763957, Example 5b)
Show SMILES Cc1noc(n1)[C@@H]1CCCCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r|
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322027
PNG
((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...)
Show SMILES COc1ccc(CN2CCN([C@H](C)C2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1 |r|
PDB

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n/an/a 3.5n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321991
PNG
((E)-1-(4-((1-Methyl-1H-pyrazol-3-yl)methyl)piperaz...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3ccn(C)n3)CC2)C(F)(F)F)n1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321899
PNG
((E)-Ethyl 1-((1-(3-(4-chloro-2-((5-methyl-2H-tetra...)
Show SMILES CCOC(=O)c1cnn(CC2(O)CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)c1
PDB

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n/an/a 3.5n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321994
PNG
((E)-1-(4-(5-Ethyl-1,3,4-oxadiazol-2-yl)piperidin-1...)
Show SMILES CCc1nnc(o1)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
PDB

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n/an/a 3.60n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322064
PNG
((E)-N-(1-(3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)C(F)(F)F)n1
PDB

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n/an/a 3.90n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322002
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES CC(C)c1nnc(o1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322006
PNG
((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...)
Show SMILES C[C@@H]1CN(Cc2noc(C)n2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r|
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322017
PNG
((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...)
Show SMILES C[C@@H]1CN(Cc2nc(C)no2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r|
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321889
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnc(o1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
PDB

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n/an/a 4n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321963
PNG
((R,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...)
Show SMILES C[C@@H]1CN(Cc2cnn(C)c2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r|
PDB

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n/an/a 4.20n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321966
PNG
((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...)
Show SMILES C[C@@H]1CN(Cc2cnn(C)c2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r|
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321958
PNG
(US10183025, Example 66a)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)[C@@H](O)c2ccc(Cl)cc2)n1 |r|
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321953
PNG
((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...)
Show SMILES C[C@@H]1CN(Cc2coc(C)n2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r|
PDB

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n/an/a 4.20n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321961
PNG
((E)-tert-Butyl-4-(3-(2-((5-methyl-2H-tetrazol-2-yl...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C(F)(F)F)n1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321957
PNG
(US10183025, Example 66 | US10183025, Example 66b |...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)C(O)c2ccc(Cl)cc2)n1
PDB

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n/an/a 4.60n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321988
PNG
((E)-1-(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piper...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(o2)C2CC2)C(F)(F)F)n1
PDB

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n/an/a 4.80n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322061
PNG
((E)-1-(4-(1-(1H-1,2,3-Triazole-4-carbonyl)piperidi...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(CC2)C2CCN(CC2)C(=O)c2c[nH]nn2)n1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321896
PNG
(US10183025, Example 30a | US9763957, Example 30a)
Show SMILES CC(C)c1noc(n1)[C@H]1CCCCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r|
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322003
PNG
((E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(tr...)
Show SMILES Cc1cc(CN2CCN(CC2)C(=O)\C=C\c2ccc(cc2Cn2nnc(C)n2)C(F)(F)F)on1
PDB

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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322013
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(CC3CCOCC3)o2)n1
PDB

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n/an/a 5.20n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322068
PNG
((E)-N-(1-(3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)NC(=O)CCCCCc2cnn[nH]2)C(F)(F)F)n1
PDB

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n/an/a 5.30n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322005
PNG
((E)-1-(4-(5-Cyclobutyl-1,3,4-oxadiazol-2-yl)piperi...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(o2)C2CCC2)C(F)(F)F)n1
PDB

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n/an/a 5.30n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321954
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1csc(n1)C(O)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321967
PNG
((E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(tr...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3coc(C)n3)CC2)C(F)(F)F)n1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321956
PNG
((R,E)-tert-Butyl 2-(3-methyl-4-(3-(2-((5-methyl-2H...)
Show SMILES C[C@@H]1CN(CC(=O)OC(C)(C)C)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r|
PDB

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n/an/a 5.5n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321867
PNG
((E)-1-(4-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2noc(C)n2)C(F)(F)F)n1
PDB

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n/an/a 5.80n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322044
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321927
PNG
((E)-ethyl 1-(3-(4-Chloro-2-((5-methyl-2H-tetrazol-...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
PDB

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n/an/a 5.90n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321964
PNG
((E)-1-(4-((5-Methyl-1,2,4-oxadiazol-3-yl)methyl)pi...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(Cc3noc(C)n3)CC2)C(F)(F)F)n1
PDB

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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321957
PNG
(US10183025, Example 66 | US10183025, Example 66b |...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)C(O)c2ccc(Cl)cc2)n1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322042
PNG
((E)-1-(4-Benzyl-4-hydroxypiperidin-1-yl)-3-(4-chlo...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(O)(Cc3ccccc3)CC2)n1
PDB

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n/an/a 6.30n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321893
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnn(c1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322007
PNG
((E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(tr...)
Show SMILES Cc1cc(CN2CCN(CC2)C(=O)\C=C\c2ccc(cc2Cn2nnc(C)n2)C(F)(F)F)no1
PDB

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n/an/a 6.60n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322062
PNG
((E)-3-((2-(4-(3-(4-Chloro-2-((5-methyl-2H-tetrazol...)
Show SMILES CCOc1c(NCCC2CN(CCO2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)c(=O)c1=O
PDB

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n/an/a 6.90n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322025
PNG
((S,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC[C@H]2C(F)(F)F)C(F)(F)F)n1 |r|
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322041
PNG
((S,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC[C@H]2C(F)(F)F)C(F)(F)F)n1 |r|
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321898
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnc(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)o1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321948
PNG
((E)-1-(4-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidin-...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(C)o2)C(F)(F)F)n1
PDB

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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321946
PNG
((E)-3-(4-(Difluoromethyl)-2-((5-methyl-2H-tetrazol...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2noc(C)n2)C(F)F)n1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321986
PNG
((E)-2-Methoxy-N-methyl-N-(1-(3-(2-((5-methyl-2H-te...)
Show SMILES COCC(=O)N(C)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
PDB

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n/an/a 8.10n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322024
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnn(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)n1
PDB

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Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321998
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(o2)C2CC2)n1
PDB

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n/an/a 8.30n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321890
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnn(n1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
PDB

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n/an/a 8.5n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM321864
PNG
((S,E)-1-(2-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidi...)
Show SMILES CCOC(=O)c1c(C)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r|
PDB

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n/an/a 8.80n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair
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