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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'may' and Initial = 'bc'   
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 A3


(Homo sapiens (Human))
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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2n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibitory constant against human adenosne A3 receptor


J Med Chem 50: 65-73 (2007)


Article DOI: 10.1021/jm061045z
BindingDB Entry DOI: 10.7270/Q2TD9Z40
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
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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3n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibitory constant aganist human adenosine A1 receptor


J Med Chem 50: 65-73 (2007)


Article DOI: 10.1021/jm061045z
BindingDB Entry DOI: 10.7270/Q2TD9Z40
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50202002
PNG
(2-amino-4-(2-chlorophenyl)-6-(2-(diethylamino)ethy...)
Show SMILES CCN(CC)CCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N |(30.4,-.59,;29.07,-1.36,;29.07,-2.9,;30.41,-3.67,;31.74,-2.89,;27.74,-3.68,;26.41,-2.92,;26.41,-1.38,;25.07,-.61,;23.74,-1.38,;22.4,-.61,;21.07,-1.38,;22.41,.93,;21.07,1.7,;19.74,2.48,;23.73,1.7,;23.73,3.24,;22.39,4,;22.38,5.54,;23.72,6.32,;25.05,5.55,;25.06,4.01,;26.39,3.24,;25.07,.94,;26.4,1.72,;27.73,2.49,)|
Show InChI InChI=1S/C19H20ClN5S/c1-3-25(4-2)9-10-26-19-15(12-22)17(14(11-21)18(23)24-19)13-7-5-6-8-16(13)20/h5-8H,3-4,9-10H2,1-2H3,(H2,23,24)
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590n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibitory constant aganist human adenosine A1 receptor


J Med Chem 50: 65-73 (2007)


Article DOI: 10.1021/jm061045z
BindingDB Entry DOI: 10.7270/Q2TD9Z40
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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680n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibitory constant against human adenosine A2a receptor


J Med Chem 50: 65-73 (2007)


Article DOI: 10.1021/jm061045z
BindingDB Entry DOI: 10.7270/Q2TD9Z40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Eukaryotic peptide chain release factor GTP-binding subunit


(Saccharomyces cerevisiae (strain ATCC 204508 / S28...)
BDBM50482421
PNG
(TERAIODOPHENOLPHATHALIN)
Show SMILES [#8]-[#6](=O)-c1ccccc1\[#6](-[#6]-1-[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1)=[#6]-1\[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1 |c:18,28,t:12,22|
Show InChI InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28/h1-9H,(H,27,28)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of polyhistidine tagged yeast prion protein Sup35 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid polymerizatio...


Nat Chem Biol 4: 197-9 (2008)


Article DOI: 10.1038/nchembio.65
BindingDB Entry DOI: 10.7270/Q2028VD2
More data for this
Ligand-Target Pair
Eukaryotic peptide chain release factor GTP-binding subunit


(Saccharomyces cerevisiae (strain ATCC 204508 / S28...)
BDBM50482421
PNG
(TERAIODOPHENOLPHATHALIN)
Show SMILES [#8]-[#6](=O)-c1ccccc1\[#6](-[#6]-1-[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1)=[#6]-1\[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1 |c:18,28,t:12,22|
Show InChI InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28/h1-9H,(H,27,28)
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n/an/an/an/a 1.00E+5n/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of yeast prion protein Sup35 infection of PSI yeast spheroplast cells


Nat Chem Biol 4: 197-9 (2008)


Article DOI: 10.1038/nchembio.65
BindingDB Entry DOI: 10.7270/Q2028VD2
More data for this
Ligand-Target Pair