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PubMed code 1895306

Compile data set for download or QSAR
Found 7 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))
BDBM50009709
PNG
(4-Amino-5-butyl-1-(3-chloro-phenyl)-1,5-dihydro-py...)
Show SMILES CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
Show InChI InChI=1S/C15H16ClN5O/c1-2-3-7-20-13(17)12-9-18-21(14(12)19-15(20)22)11-6-4-5-10(16)8-11/h4-6,8-9H,2-3,7,17H2,1H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A1 receptor in rat whole brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009707
PNG
(4-Amino-5-butyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-...)
Show SMILES CCCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
Show InChI InChI=1S/C15H17N5O/c1-2-3-9-19-13(16)12-10-17-20(14(12)18-15(19)21)11-7-5-4-6-8-11/h4-8,10H,2-3,9,16H2,1H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A1 receptor in rat whole brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009708
PNG
(4-Amino-1-(3-chloro-phenyl)-5-propyl-1,5-dihydro-p...)
Show SMILES CCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
Show InChI InChI=1S/C14H14ClN5O/c1-2-6-19-12(16)11-8-17-20(13(11)18-14(19)21)10-5-3-4-9(15)7-10/h3-5,7-8H,2,6,16H2,1H3
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n/an/a 1.46E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A1 receptor in rat whole brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009704
PNG
(4-Amino-1-(3-chloro-phenyl)-5-methyl-1,5-dihydro-p...)
Show SMILES Cn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
Show InChI InChI=1S/C12H10ClN5O/c1-17-10(14)9-6-15-18(11(9)16-12(17)19)8-4-2-3-7(13)5-8/h2-6H,14H2,1H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A1 receptors in rat whole brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009705
PNG
(4-Amino-1,5-diphenyl-1,5-dihydro-pyrazolo[3,4-d]py...)
Show SMILES CCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
Show InChI InChI=1S/C13H12ClN5O/c1-2-18-11(15)10-7-16-19(12(10)17-13(18)20)9-5-3-4-8(14)6-9/h3-7H,2,15H2,1H3
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n/an/a 1.98E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A1 receptor in rat whole brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009706
PNG
(4-Amino-5-ethyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-...)
Show SMILES CCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
Show InChI InChI=1S/C13H13N5O/c1-2-17-11(14)10-8-15-18(12(10)16-13(17)19)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
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n/an/a 2.01E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A1 receptor in rat whole brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009710
PNG
(4-Amino-1-phenyl-5-propyl-1,5-dihydro-pyrazolo[3,4...)
Show SMILES CCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
Show InChI InChI=1S/C14H15N5O/c1-2-8-18-12(15)11-9-16-19(13(11)17-14(18)20)10-6-4-3-5-7-10/h3-7,9H,2,8,15H2,1H3
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n/an/a 5.07E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A1 receptor in rat whole brain membrane


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%