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5 similar compounds to monomer 50242100

Compile data set for download or QSAR
Wt: 434.4
BDBM50242099
Wt: 451.4
BDBM50242114
Wt: 460.5
BDBM50242115
Wt: 392.3
BDBM50242116
Wt: 517.4
BDBM50242101

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50242099,50242114,50242115,50242116,50242101   
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


(Homo sapiens (Human))
BDBM50242116
PNG
(CHEMBL4079273)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C20H17FN6O2/c1-2-9-27-19(28)16-18(25-20(27)29)24-17(23-16)14-11-22-26(12-14)10-3-4-13-5-7-15(21)8-6-13/h5-8,11-12H,2,9-10H2,1H3,(H,23,24)(H,25,29)
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PubMed
1.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242099
PNG
(CHEMBL4086077)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C23H23FN6O2/c1-3-11-29-21-19(22(31)30(12-4-2)23(29)32)26-20(27-21)17-14-25-28(15-17)13-5-6-16-7-9-18(24)10-8-16/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,26,27)
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5.90n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242114
PNG
(CHEMBL4077765)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC#Cc2cccc(F)c2)no1
Show InChI InChI=1S/C23H22FN5O4/c1-3-10-28-21-19(22(30)29(11-4-2)23(28)31)25-20(26-21)17-14-18(27-33-17)32-12-6-8-15-7-5-9-16(24)13-15/h5,7,9,13-14H,3-4,10-12H2,1-2H3,(H,25,26)
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55n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242101
PNG
(CHEMBL4102500)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC#Cc2cccc(OC(F)(F)F)c2)no1
Show InChI InChI=1S/C24H22F3N5O5/c1-3-10-31-21-19(22(33)32(11-4-2)23(31)34)28-20(29-21)17-14-18(30-37-17)35-12-6-8-15-7-5-9-16(13-15)36-24(25,26)27/h5,7,9,13-14H,3-4,10-12H2,1-2H3,(H,28,29)
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>600n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242115
PNG
(CHEMBL4069118)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC#Cc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H25FN4O3/c1-3-14-30-24-22(25(32)31(15-4-2)26(30)33)28-23(29-24)19-10-12-21(13-11-19)34-16-6-8-18-7-5-9-20(27)17-18/h5,7,9-13,17H,3-4,14-16H2,1-2H3,(H,28,29)
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair