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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'lupidi' and Initial = 'g'   
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
Adenosine deaminase


(Bos taurus (bovine))
BDBM22925
PNG
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
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0.00100n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nM


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (Human))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) against Human erythrocyte adenosine deaminase


J Med Chem 31: 390-3 (1988)


Article DOI: 10.1021/jm00397a021
BindingDB Entry DOI: 10.7270/Q2X067M7
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (Human))
BDBM50011575
PNG
(3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)nccc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)
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6.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) against Human erythrocyte adenosine deaminase


J Med Chem 31: 390-3 (1988)


Article DOI: 10.1021/jm00397a021
BindingDB Entry DOI: 10.7270/Q2X067M7
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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7n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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7n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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7n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) against calf intestine adenosine deaminase


J Med Chem 31: 390-3 (1988)


Article DOI: 10.1021/jm00397a021
BindingDB Entry DOI: 10.7270/Q2X067M7
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


J Med Chem 27: 274-8 (1984)


Article DOI: 10.1021/jm00369a008
BindingDB Entry DOI: 10.7270/Q2CR5TW3
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011575
PNG
(3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)nccc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)
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10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) against calf intestine adenosine deaminase


J Med Chem 31: 390-3 (1988)


Article DOI: 10.1021/jm00397a021
BindingDB Entry DOI: 10.7270/Q2X067M7
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011575
PNG
(3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)nccc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


J Med Chem 27: 274-8 (1984)


Article DOI: 10.1021/jm00369a008
BindingDB Entry DOI: 10.7270/Q2CR5TW3
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011575
PNG
(3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)nccc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)
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10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011591
PNG
(3-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ccnc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-13(11(2)20)19-10-18-14-12(16)8-9-17-15(14)19/h8-11,13,20H,3-7H2,1-2H3,(H2,16,17)
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10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011577
PNG
(1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carb...)
Show SMILES CCCCCCC(C(C)O)n1cnc(c1)C(N)=O
Show InChI InChI=1S/C13H23N3O2/c1-3-4-5-6-7-12(10(2)17)16-8-11(13(14)18)15-9-16/h8-10,12,17H,3-7H2,1-2H3,(H2,14,18)
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35n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011577
PNG
(1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carb...)
Show SMILES CCCCCCC(C(C)O)n1cnc(c1)C(N)=O
Show InChI InChI=1S/C13H23N3O2/c1-3-4-5-6-7-12(10(2)17)16-8-11(13(14)18)15-9-16/h8-10,12,17H,3-7H2,1-2H3,(H2,14,18)
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35n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011582
PNG
(1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carb...)
Show SMILES CCCCCCC(C(C)O)n1cnc(c1)C(N)=S
Show InChI InChI=1S/C13H23N3OS/c1-3-4-5-6-7-12(10(2)17)16-8-11(13(14)18)15-9-16/h8-10,12,17H,3-7H2,1-2H3,(H2,14,18)
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47n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (Human))
BDBM50011591
PNG
(3-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ccnc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-13(11(2)20)19-10-18-14-12(16)8-9-17-15(14)19/h8-11,13,20H,3-7H2,1-2H3,(H2,16,17)
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120n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) against Human erythrocyte adenosine deaminase


J Med Chem 31: 390-3 (1988)


Article DOI: 10.1021/jm00397a021
BindingDB Entry DOI: 10.7270/Q2X067M7
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50028247
PNG
(3-Imidazo[4,5-c]pyridin-1-yl-nonan-2-ol | CHEMBL32...)
Show SMILES CCCCCCC(C(C)O)n1cnc2cnccc12
Show InChI InChI=1S/C15H23N3O/c1-3-4-5-6-7-14(12(2)19)18-11-17-13-10-16-9-8-15(13)18/h8-12,14,19H,3-7H2,1-2H3
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


J Med Chem 27: 274-8 (1984)


Article DOI: 10.1021/jm00369a008
BindingDB Entry DOI: 10.7270/Q2CR5TW3
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011586
PNG
(5-Chloro-1-[1-(1-hydroxy-ethyl)-heptyl]-1H-imidazo...)
Show SMILES CCCCCCC(C(C)O)n1cnc(C(N)=O)c1Cl
Show InChI InChI=1S/C13H22ClN3O2/c1-3-4-5-6-7-10(9(2)18)17-8-16-11(12(17)14)13(15)19/h8-10,18H,3-7H2,1-2H3,(H2,15,19)
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126n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011591
PNG
(3-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ccnc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-13(11(2)20)19-10-18-14-12(16)8-9-17-15(14)19/h8-11,13,20H,3-7H2,1-2H3,(H2,16,17)
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


J Med Chem 27: 274-8 (1984)


Article DOI: 10.1021/jm00369a008
BindingDB Entry DOI: 10.7270/Q2CR5TW3
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011591
PNG
(3-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ccnc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-13(11(2)20)19-10-18-14-12(16)8-9-17-15(14)19/h8-11,13,20H,3-7H2,1-2H3,(H2,16,17)
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160n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011575
PNG
(3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)nccc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)
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160n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011591
PNG
(3-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-nonan-2-ol ...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ccnc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-13(11(2)20)19-10-18-14-12(16)8-9-17-15(14)19/h8-11,13,20H,3-7H2,1-2H3,(H2,16,17)
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160n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) against calf intestine adenosine deaminase


J Med Chem 31: 390-3 (1988)


Article DOI: 10.1021/jm00397a021
BindingDB Entry DOI: 10.7270/Q2X067M7
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031261
PNG
(5-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-2-hydroxyme...)
Show SMILES Nc1ccnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C11H14N4O3/c12-6-1-2-13-11-10(6)14-5-15(11)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13)
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190n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


Article DOI: 10.1021/jm00020a017
BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031276
PNG
(2-Hydroxymethyl-5-(7-methylamino-imidazo[4,5-b]pyr...)
Show SMILES CNc1ccnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C12H16N4O3/c1-13-7-2-3-14-12-11(7)15-6-16(12)10-4-8(18)9(5-17)19-10/h2-3,6,8-10,17-18H,4-5H2,1H3,(H,13,14)
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250n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


Article DOI: 10.1021/jm00020a017
BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50012528
PNG
(5-(7-Hydroxyamino-imidazo[4,5-b]pyridin-3-yl)-2-hy...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NO)ccnc12
Show InChI InChI=1S/C11H14N4O4/c16-4-8-7(17)3-9(19-8)15-5-13-10-6(14-18)1-2-12-11(10)15/h1-2,5,7-9,16-18H,3-4H2,(H,12,14)
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270n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Adenosine deaminase from calf intestine.


J Med Chem 34: 2226-30 (1991)


Article DOI: 10.1021/jm00111a044
BindingDB Entry DOI: 10.7270/Q2CZ37S1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011573
PNG
(1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carb...)
Show SMILES CCCCCCC(C(C)O)n1cnc(c1)C(=O)NC
Show InChI InChI=1S/C14H25N3O2/c1-4-5-6-7-8-13(11(2)18)17-9-12(16-10-17)14(19)15-3/h9-11,13,18H,4-8H2,1-3H3,(H,15,19)
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368n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50023668
PNG
(2-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-5-hydroxyme...)
Show SMILES Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11?/m1/s1
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380n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


Article DOI: 10.1021/jm00020a017
BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50028245
PNG
(3-Imidazo[4,5-b]pyridin-3-yl-nonan-2-ol | CHEMBL96...)
Show SMILES CCCCCCC(C(C)O)n1cnc2cccnc12
Show InChI InChI=1S/C15H23N3O/c1-3-4-5-6-9-14(12(2)19)18-11-17-13-8-7-10-16-15(13)18/h7-8,10-12,14,19H,3-6,9H2,1-2H3
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550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


J Med Chem 27: 274-8 (1984)


Article DOI: 10.1021/jm00369a008
BindingDB Entry DOI: 10.7270/Q2CR5TW3
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043793
PNG
(3-Tetrazol-1-yl-nonan-2-ol | CHEMBL292750)
Show SMILES CCCCCCC(C(C)O)n1cnnn1
Show InChI InChI=1S/C10H20N4O/c1-3-4-5-6-7-10(9(2)15)14-8-11-12-13-14/h8-10,15H,3-7H2,1-2H3
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600n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50060165
PNG
((2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-y...)
Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
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660n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


J Med Chem 27: 274-8 (1984)


Article DOI: 10.1021/jm00369a008
BindingDB Entry DOI: 10.7270/Q2CR5TW3
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50060165
PNG
((2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-y...)
Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
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660n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50028246
PNG
(3-Purin-9-yl-nonan-2-ol | CHEMBL321338)
Show SMILES CCCCCCC(C(C)O)n1cnc2cncnc12
Show InChI InChI=1S/C14H22N4O/c1-3-4-5-6-7-13(11(2)19)18-10-17-12-8-15-9-16-14(12)18/h8-11,13,19H,3-7H2,1-2H3
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840n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


J Med Chem 27: 274-8 (1984)


Article DOI: 10.1021/jm00369a008
BindingDB Entry DOI: 10.7270/Q2CR5TW3
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011590
PNG
(1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carb...)
Show SMILES CCCCCCC(C(C)O)n1cnc(c1)C(=O)NCCO
Show InChI InChI=1S/C15H27N3O3/c1-3-4-5-6-7-14(12(2)20)18-10-13(17-11-18)15(21)16-8-9-19/h10-12,14,19-20H,3-9H2,1-2H3,(H,16,21)
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930n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043790
PNG
(3-[1,2,4]Triazol-1-yl-nonan-2-ol | CHEMBL65628)
Show SMILES CCCCCCC(C(C)O)n1cncn1
Show InChI InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-9-12-8-13-14/h8-11,15H,3-7H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043790
PNG
(3-[1,2,4]Triazol-1-yl-nonan-2-ol | CHEMBL65628)
Show SMILES CCCCCCC(C(C)O)n1cncn1
Show InChI InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-9-12-8-13-14/h8-11,15H,3-7H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011580
PNG
(5-Amino-1-[1-(1-hydroxy-ethyl)-heptyl]-1H-imidazol...)
Show SMILES CCCCCCC(C(C)O)n1cnc(C(N)=O)c1N
Show InChI InChI=1S/C13H24N4O2/c1-3-4-5-6-7-10(9(2)18)17-8-16-11(12(17)14)13(15)19/h8-10,18H,3-7,14H2,1-2H3,(H2,15,19)
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1.04E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50406548
PNG
(CHEMBL2113394)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12
Show InChI InChI=1S/C11H14N4O5/c16-3-6-8(17)9(18)11(20-6)15-4-13-7-5(14-19)1-2-12-10(7)15/h1-2,4,6,8-9,11,16-19H,3H2,(H,12,14)/t6-,8-,9-,11-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Adenosine deaminase from calf intestine.


J Med Chem 34: 2226-30 (1991)


Article DOI: 10.1021/jm00111a044
BindingDB Entry DOI: 10.7270/Q2CZ37S1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043788
PNG
(3-Imidazol-1-yl-nonan-2-ol | CHEMBL64503)
Show SMILES CCCCCCC(C(C)O)n1ccnc1
Show InChI InChI=1S/C12H22N2O/c1-3-4-5-6-7-12(11(2)15)14-9-8-13-10-14/h8-12,15H,3-7H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043788
PNG
(3-Imidazol-1-yl-nonan-2-ol | CHEMBL64503)
Show SMILES CCCCCCC(C(C)O)n1ccnc1
Show InChI InChI=1S/C12H22N2O/c1-3-4-5-6-7-12(11(2)15)14-9-8-13-10-14/h8-12,15H,3-7H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031283
PNG
(CHEMBL130928 | [5-(7-Methylamino-imidazo[4,5-b]pyr...)
Show SMILES CNc1ccnc2n(cnc12)C1CCC(CO)O1
Show InChI InChI=1S/C12H16N4O2/c1-13-9-4-5-14-12-11(9)15-7-16(12)10-3-2-8(6-17)18-10/h4-5,7-8,10,17H,2-3,6H2,1H3,(H,13,14)
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2.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


Article DOI: 10.1021/jm00020a017
BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031268
PNG
(CHEMBL336531 | [5-(7-Amino-imidazo[4,5-b]pyridin-3...)
Show SMILES Nc1ccnc2n(cnc12)C1CCC(CO)O1
Show InChI InChI=1S/C11H14N4O2/c12-8-3-4-13-11-10(8)14-6-15(11)9-2-1-7(5-16)17-9/h3-4,6-7,9,16H,1-2,5H2,(H2,12,13)
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2.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


Article DOI: 10.1021/jm00020a017
BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011585
PNG
(3-(4-Hydroxymethyl-imidazol-1-yl)-nonan-2-ol | CHE...)
Show SMILES CCCCCCC(C(C)O)n1cnc(CO)c1
Show InChI InChI=1S/C13H24N2O2/c1-3-4-5-6-7-13(11(2)17)15-8-12(9-16)14-10-15/h8,10-11,13,16-17H,3-7,9H2,1-2H3
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2.52E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011571
PNG
(1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carb...)
Show SMILES CCCCCCC(C(C)O)n1cnc(c1)C(N)=N
Show InChI InChI=1S/C13H24N4O/c1-3-4-5-6-7-12(10(2)18)17-8-11(13(14)15)16-9-17/h8-10,12,18H,3-7H2,1-2H3,(H3,14,15)
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2.56E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011574
PNG
(3-(4-Aminomethyl-imidazol-1-yl)-nonan-2-ol | CHEMB...)
Show SMILES CCCCCCC(C(C)O)n1cnc(CN)c1
Show InChI InChI=1S/C13H25N3O/c1-3-4-5-6-7-13(11(2)17)16-9-12(8-14)15-10-16/h9-11,13,17H,3-8,14H2,1-2H3
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4.02E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031292
PNG
(5-(5-Chloro-7-methylamino-imidazo[4,5-b]pyridin-3-...)
Show SMILES CNc1cc(Cl)nc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C12H15ClN4O3/c1-14-6-2-9(13)16-12-11(6)15-5-17(12)10-3-7(19)8(4-18)20-10/h2,5,7-8,10,18-19H,3-4H2,1H3,(H,14,16)
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4.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


Article DOI: 10.1021/jm00020a017
BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50012527
PNG
(CHEMBL3142249 | CHEMBL70290 | N-[3-(4-p-Tolyloxy-5...)
Show SMILES Cc1ccc(OC[C@H]2O[C@H](C[C@@H]2Oc2ccc(C)cc2)n2cnc3c(NO)ccnc23)cc1
Show InChI InChI=1S/C25H26N4O4/c1-16-3-7-18(8-4-16)31-14-22-21(32-19-9-5-17(2)6-10-19)13-23(33-22)29-15-27-24-20(28-30)11-12-26-25(24)29/h3-12,15,21-23,30H,13-14H2,1-2H3,(H,26,28)
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5.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Adenosine deaminase from calf intestine.


J Med Chem 34: 2226-30 (1991)


Article DOI: 10.1021/jm00111a044
BindingDB Entry DOI: 10.7270/Q2CZ37S1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031260
PNG
(5-(7-Cyclopropylamino-imidazo[4,5-b]pyridin-3-yl)-...)
Show SMILES OCC1OC(CC1O)n1cnc2c(NC3CC3)ccnc12
Show InChI InChI=1S/C14H18N4O3/c19-6-11-10(20)5-12(21-11)18-7-16-13-9(17-8-1-2-8)3-4-15-14(13)18/h3-4,7-8,10-12,19-20H,1-2,5-6H2,(H,15,17)
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5.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


Article DOI: 10.1021/jm00020a017
BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50011589
PNG
(1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carb...)
Show SMILES CCCCCCC(C(C)O)n1cnc(c1)C(=O)NC[C@H](C)O
Show InChI InChI=1S/C16H29N3O3/c1-4-5-6-7-8-15(13(3)21)19-10-14(18-11-19)16(22)17-9-12(2)20/h10-13,15,20-21H,4-9H2,1-3H3,(H,17,22)/t12-,13?,15?/m0/s1
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6.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal adenosine deaminase


J Med Chem 34: 1187-92 (1991)


Article DOI: 10.1021/jm00107a044
BindingDB Entry DOI: 10.7270/Q20V8DDM
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50368280
PNG
(CHEMBL612157)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NO)cc(Cl)nc12
Show InChI InChI=1S/C11H13ClN4O5/c12-6-1-4(15-20)7-10(14-6)16(3-13-7)11-9(19)8(18)5(2-17)21-11/h1,3,5,8-9,11,17-20H,2H2,(H,14,15)/t5-,8-,9-,11?/m1/s1
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6.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Adenosine deaminase from calf intestine.


J Med Chem 34: 2226-30 (1991)


Article DOI: 10.1021/jm00111a044
BindingDB Entry DOI: 10.7270/Q2CZ37S1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043789
PNG
(3-Tetrazol-2-yl-nonan-2-ol | CHEMBL65627)
Show SMILES CCCCCCC(C(C)O)n1ncnn1
Show InChI InChI=1S/C10H20N4O/c1-3-4-5-6-7-10(9(2)15)14-12-8-11-13-14/h8-10,15H,3-7H2,1-2H3
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9.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50043789
PNG
(3-Tetrazol-2-yl-nonan-2-ol | CHEMBL65627)
Show SMILES CCCCCCC(C(C)O)n1ncnn1
Show InChI InChI=1S/C10H20N4O/c1-3-4-5-6-7-10(9(2)15)14-12-8-11-13-14/h8-10,15H,3-7H2,1-2H3
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9.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
In vitro innhibition of adenosine deaminase isolated from calf intestine.


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
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