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3 similar compounds to monomer 50281614

Compile data set for download or QSAR
Wt: 276.3
BDBM50011566
Wt: 250.2
BDBM50408388
Wt: 250.2
BDBM50408389

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50011566,50408388,50408389   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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=1/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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PubMed
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=1/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
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))
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=1/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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PubMed
4.00E+5n/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))
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=1/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
Adenosylhomocysteinase


(Mus musculus)
BDBM50408388
PNG
(CHEMBL2051967)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C11H14N4O3/c12-10-5-1-2-15(11(5)14-4-13-10)6-3-7(16)9(18)8(6)17/h1-2,4,6-9,16-18H,3H2,(H2,12,13,14)/t6-,7+,8+,9-/s2
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n/an/a>5.00E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against purified S-Adenosylhomocysteine hydrolase isolated from murine L929 cells


J Med Chem 40: 622-4 (1997)


Article DOI: 10.1021/jm9605039
BindingDB Entry DOI: 10.7270/Q2FF3RGN
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50408389
PNG
(CHEMBL2051757)
Show SMILES Nc1ncnc2n(ccc12)[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1/C11H14N4O3/c12-10-5-1-2-15(11(5)14-4-13-10)6-3-7(16)9(18)8(6)17/h1-2,4,6-9,16-18H,3H2,(H2,12,13,14)/t6-,7+,8+,9-/s2
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against purified S-Adenosylhomocysteine hydrolase isolated from murine L929 cells


J Med Chem 40: 622-4 (1997)


Article DOI: 10.1021/jm9605039
BindingDB Entry DOI: 10.7270/Q2FF3RGN
More data for this
Ligand-Target Pair