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3 similar compounds to monomer 82055

Compile data set for download or QSAR
Wt: 334.3
BDBM50366652
Wt: 266.2
BDBM50404737
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Wt: 282.2
BDBM50367286

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50366652,50404737,50367286   
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 receptor A1


(Rattus norvegicus (rat))
BDBM50366652
PNG
(CHEMBL610646)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nccc12
Show InChI InChI=1S/C16H22N4O4/c21-7-11-13(22)14(23)16(24-11)20-8-18-12-10(20)5-6-17-15(12)19-9-3-1-2-4-9/h5-6,8-9,11,13-14,16,21-23H,1-4,7H2,(H,17,19)/t11-,13-,14-,16?/m1/s1
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100n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX


Bioorg Med Chem Lett 10: 2141-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00415-7
BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50366652
PNG
(CHEMBL610646)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nccc12
Show InChI InChI=1S/C16H22N4O4/c21-7-11-13(22)14(23)16(24-11)20-8-18-12-10(20)5-6-17-15(12)19-9-3-1-2-4-9/h5-6,8-9,11,13-14,16,21-23H,1-4,7H2,(H,17,19)/t11-,13-,14-,16?/m1/s1
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1.01E+4n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385


Bioorg Med Chem Lett 10: 2141-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00415-7
BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50404737
PNG
(CHEMBL2093950)
Show SMILES Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)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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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against S-adenosyl-homocysteine hydrolase


J Med Chem 25: 96-8 (1982)


Article DOI: 10.1021/jm00343a021
BindingDB Entry DOI: 10.7270/Q2571D6M
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50367286
PNG
(CHEMBL3245950 | CHEMBL605683)
Show SMILES Nc1cc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O5/c12-6-1-4-7(10(19)14-6)13-3-15(4)11-9(18)8(17)5(2-16)20-11/h1,3,5,8-9,11,16-18H,2H2,(H3,12,14,19)/t5-,8-,9-,11?/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate


J Med Chem 29: 2034-7 (1986)


Article DOI: 10.1021/jm00160a040
BindingDB Entry DOI: 10.7270/Q29P326Z
More data for this
Ligand-Target Pair