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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'shanthan rao' and Initial = 'p'   
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))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.5n/an/an/an/an/an/an/an/a



University College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat adenosine A1 receptor


Eur J Med Chem 43: 614-20 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.001
BindingDB Entry DOI: 10.7270/Q22Z15BT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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157n/an/an/an/an/an/an/an/a



University College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from rat adenosine A2A receptor


Eur J Med Chem 43: 614-20 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.001
BindingDB Entry DOI: 10.7270/Q22Z15BT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50260483
PNG
(5-Ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][...)
Show SMILES CCc1nc2sc3CCCCc3c2c2n[nH]c(=S)n12
Show InChI InChI=1S/C13H14N4S2/c1-2-9-14-12-10(11-15-16-13(18)17(9)11)7-5-3-4-6-8(7)19-12/h2-6H2,1H3,(H,16,18)
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1.17E+3n/an/an/an/an/an/an/an/a



University College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat adenosine A1 receptor


Eur J Med Chem 43: 614-20 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.001
BindingDB Entry DOI: 10.7270/Q22Z15BT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50260482
PNG
(5-Ethyl-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4...)
Show SMILES CCc1nc2sc(C)c(C)c2c2n[nH]c(=S)n12
Show InChI InChI=1S/C11H12N4S2/c1-4-7-12-10-8(5(2)6(3)17-10)9-13-14-11(16)15(7)9/h4H2,1-3H3,(H,14,16)
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2.10E+3n/an/an/an/an/an/an/an/a



University College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat adenosine A1 receptor


Eur J Med Chem 43: 614-20 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.001
BindingDB Entry DOI: 10.7270/Q22Z15BT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50260481
PNG
(5-Methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e]...)
Show SMILES Cc1nc2sc3CCCCc3c2c2n[nH]c(=S)n12
Show InChI InChI=1S/C12H12N4S2/c1-6-13-11-9(10-14-15-12(17)16(6)10)7-4-2-3-5-8(7)18-11/h2-5H2,1H3,(H,15,17)
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Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



University College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat adenosine A1 receptor


Eur J Med Chem 43: 614-20 (2008)


Article DOI: 10.1016/j.ejmech.2007.05.001
BindingDB Entry DOI: 10.7270/Q22Z15BT
More data for this
Ligand-Target Pair