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Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 49000138   
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 A1 receptor


(GUINEA PIG)
BDBM50287703
PNG
((E)-1-[(S)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor)


Bioorg Med Chem Lett 6: 2059-2062 (1996)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
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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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor)


Bioorg Med Chem Lett 6: 2059-2062 (1996)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50287704
PNG
((E)-1-(2-Ethyl-piperidin-1-yl)-3-(2-methyl-6-pheny...)
Show SMILES CCC1CCCCN1C(=O)\C=C\c1c(nc2sc(C)nn12)-c1ccccc1
Show InChI InChI=1S/C21H24N4OS/c1-3-17-11-7-8-14-24(17)19(26)13-12-18-20(16-9-5-4-6-10-16)22-21-25(18)23-15(2)27-21/h4-6,9-10,12-13,17H,3,7-8,11,14H2,1-2H3/b13-12+
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n/an/a 91n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor) at 10 nM


Bioorg Med Chem Lett 6: 2059-2062 (1996)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50079652
PNG
((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor)


Bioorg Med Chem Lett 6: 2059-2062 (1996)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50053171
PNG
(4-Benzyl-2-dimethylamino-pyrimidine-5-carboxylic a...)
Show SMILES COC(=O)c1cnc(nc1Cc1ccccc1)N(C)C
Show InChI InChI=1S/C15H17N3O2/c1-18(2)15-16-10-12(14(19)20-3)13(17-15)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
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n/an/a 2.13E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in guinea pig heart


J Med Chem 39: 3671-83 (1996)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50053172
PNG
(4-Benzyl-2-dimethylamino-pyrimidine-5-carboxylic a...)
Show SMILES CN(C)c1ncc(C(O)=O)c(Cc2ccccc2)n1
Show InChI InChI=1S/C14H15N3O2/c1-17(2)14-15-9-11(13(18)19)12(16-14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)
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n/an/a 5.83E+5n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in guinea pig heart


J Med Chem 39: 3671-83 (1996)

More data for this
Ligand-Target Pair