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5 similar compounds to monomer 50025708

Compile data set for download or QSAR
Wt: 373.4
BDBM50053937
Wt: 359.4
BDBM50053940
Wt: 373.4
BDBM50053945
Wt: 387.5
BDBM50053948
Wt: 387.5
BDBM50288747

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50053937,50053940,50053945,50053948,50288747   
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))
BDBM50053948
PNG
(2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C18H21N5OS2/c1-3-4-10-14(15(19)24)26-18-21-16-13(17(22-18)25-2)11-20-23(16)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,24)
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Article
PubMed
6.81n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053937
PNG
(2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C17H19N5OS2/c1-3-7-13(14(18)23)25-17-20-15-12(16(21-17)24-2)10-19-22(15)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3,(H2,18,23)
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7.55n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053940
PNG
(2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C16H17N5OS2/c1-3-12(13(17)22)24-16-19-14-11(15(20-16)23-2)9-18-21(14)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H2,17,22)
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8.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053945
PNG
(3-Methyl-2-(4-methylsulfanyl-1-phenyl-1H-pyrazolo[...)
Show SMILES CSc1nc(SC(C(C)C)C(N)=O)nc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5OS2/c1-10(2)13(14(18)23)25-17-20-15-12(16(21-17)24-3)9-19-22(15)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H2,18,23)
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15.7n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50288747
PNG
(2-(1-Phenyl-4-propylsulfanyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCCSc1nc(SC(CC)C(N)=O)nc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5OS2/c1-3-10-25-17-13-11-20-23(12-8-6-5-7-9-12)16(13)21-18(22-17)26-14(4-2)15(19)24/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,24)
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Article
30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of A1 agonist (R)-[3H]-N 6-(phenylisopropyl) adenosine binding to membranes from rat whole brain


Bioorg Med Chem Lett 6: 357-360 (1996)


Article DOI: 10.1016/0960-894X(96)00027-3
BindingDB Entry DOI: 10.7270/Q2HQ3ZWW
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053940
PNG
(2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C16H17N5OS2/c1-3-12(13(17)22)24-16-19-14-11(15(20-16)23-2)9-18-21(14)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H2,17,22)
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796n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053937
PNG
(2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C17H19N5OS2/c1-3-7-13(14(18)23)25-17-20-15-12(16(21-17)24-2)10-19-22(15)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3,(H2,18,23)
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4.38E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50288747
PNG
(2-(1-Phenyl-4-propylsulfanyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCCSc1nc(SC(CC)C(N)=O)nc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5OS2/c1-3-10-25-17-13-11-20-23(12-8-6-5-7-9-12)16(13)21-18(22-17)26-14(4-2)15(19)24/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,24)
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>3.85E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of A2a agonist [3H]-CGS- 21680 binding to rat striatal membranes


Bioorg Med Chem Lett 6: 357-360 (1996)


Article DOI: 10.1016/0960-894X(96)00027-3
BindingDB Entry DOI: 10.7270/Q2HQ3ZWW
More data for this
Ligand-Target Pair