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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 82017   
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


(BOVINE)
BDBM82017
PNG
(8-(4-Acetoxyphenyl)theophylline)
Show SMILES CC(=O)Oc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C15H14N4O4/c1-8(20)23-10-6-4-9(5-7-10)12-16-11-13(17-12)18(2)15(22)19(3)14(11)21/h4-7H,1-3H3,(H,16,17)
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PC sid
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Article
PubMed
23n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)


Article DOI: 10.1007/bf00572436
BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82017
PNG
(8-(4-Acetoxyphenyl)theophylline)
Show SMILES CC(=O)Oc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C15H14N4O4/c1-8(20)23-10-6-4-9(5-7-10)12-16-11-13(17-12)18(2)15(22)19(3)14(11)21/h4-7H,1-3H3,(H,16,17)
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Article
PubMed
238n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)


Article DOI: 10.1007/bf00572436
BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM82017
PNG
(8-(4-Acetoxyphenyl)theophylline)
Show SMILES CC(=O)Oc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C15H14N4O4/c1-8(20)23-10-6-4-9(5-7-10)12-16-11-13(17-12)18(2)15(22)19(3)14(11)21/h4-7H,1-3H3,(H,16,17)
PDB
MMDB

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UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)


Article DOI: 10.1007/bf00572436
BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair