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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50035722   
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


(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
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



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


(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))
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


(Homo sapiens (Human))
BDBM50011565
PNG
(3-(4-Amino-benzoimidazol-1-yl)-nonan-2-ol | CHEMBL...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)cccc12
Show InChI InChI=1S/C16H25N3O/c1-3-4-5-6-9-14(12(2)20)19-11-18-16-13(17)8-7-10-15(16)19/h7-8,10-12,14,20H,3-6,9,17H2,1-2H3
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1.50E+4n/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))
BDBM50011565
PNG
(3-(4-Amino-benzoimidazol-1-yl)-nonan-2-ol | CHEMBL...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)cccc12
Show InChI InChI=1S/C16H25N3O/c1-3-4-5-6-9-14(12(2)20)19-11-18-16-13(17)8-7-10-15(16)19/h7-8,10-12,14,20H,3-6,9,17H2,1-2H3
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7.10E+4n/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


(Homo sapiens (Human))
BDBM50011566
PNG
(3-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-nonan-2-o...)
Show SMILES CCCCCCC(C(C)O)n1ccc2c(N)ncnc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-13(11(2)20)19-9-8-12-14(16)17-10-18-15(12)19/h8-11,13,20H,3-7H2,1-2H3,(H2,16,17,18)
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1.80E+5n/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))
BDBM50011566
PNG
(3-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-nonan-2-o...)
Show SMILES CCCCCCC(C(C)O)n1ccc2c(N)ncnc12
Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-13(11(2)20)19-9-8-12-14(16)17-10-18-15(12)19/h8-11,13,20H,3-7H2,1-2H3,(H2,16,17,18)
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4.00E+5n/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