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PubMed code 10757709

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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 receptor A1


(Rattus norvegicus (rat))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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PubMed
1.55E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane in presence of 0.5 mM GTP


J Nat Prod 63: 315-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SB46M8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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PubMed
1.66E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane


J Nat Prod 63: 315-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SB46M8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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PubMed
8.50E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor


J Nat Prod 63: 315-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SB46M8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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PubMed
2.90E+4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor


J Nat Prod 63: 315-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SB46M8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50259667
PNG
(4-(trans)-acetyl-3,6,8-trihydroxy-3-methyldihydron...)
Show SMILES CC(=O)[C@@H]1c2cc(O)cc(O)c2C(=O)C[C@@]1(C)O |r|
Show InChI InChI=1S/C13H14O5/c1-6(14)12-8-3-7(15)4-9(16)11(8)10(17)5-13(12,2)18/h3-4,12,15-16,18H,5H2,1-2H3/t12-,13-/m1/s1
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane


J Nat Prod 63: 315-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SB46M8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50259665
PNG
(5-acetonyl-7-hydroxy-2-hydroxymethylchromone | CHE...)
Show SMILES CC(=O)Cc1cc(O)cc2oc(CO)cc(=O)c12
Show InChI InChI=1S/C13H12O5/c1-7(15)2-8-3-9(16)4-12-13(8)11(17)5-10(6-14)18-12/h3-5,14,16H,2,6H2,1H3
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane


J Nat Prod 63: 315-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SB46M8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50244182
PNG
(5-acetonyl-7-hydroxy-2-methyl chromone | 5-acetony...)
Show SMILES CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12
Show InChI InChI=1S/C13H12O4/c1-7(14)3-9-5-10(15)6-12-13(9)11(16)4-8(2)17-12/h4-6,15H,3H2,1-2H3
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane


J Nat Prod 63: 315-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SB46M8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50259668
PNG
(4-(cis)-acetyl-3,6,8-trihydroxy-3-methyldihydronap...)
Show SMILES CC(=O)[C@@H]1c2cc(O)cc(O)c2C(=O)C[C@]1(C)O |r|
Show InChI InChI=1S/C13H14O5/c1-6(14)12-8-3-7(15)4-9(16)11(8)10(17)5-13(12,2)18/h3-4,12,15-16,18H,5H2,1-2H3/t12-,13+/m1/s1
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane


J Nat Prod 63: 315-7 (2000)


BindingDB Entry DOI: 10.7270/Q2SB46M8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%