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5 similar compounds to monomer 50123640

Compile data set for download or QSAR
Wt: 467.4
BDBM50123631
Wt: 453.4
BDBM50123633
Wt: 465.4
BDBM50123638
Wt: 467.4
BDBM50208061
Wt: 453.4
BDBM50208086

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50123631,50123633,50123638,50208061,50208086   
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50123638
PNG
(9-azido-8-(tert-butyl)-6,12,17-trihydroxy-16-methy...)
Show SMILES C[C@@H]1C(=O)OC2[C@H](O)C34C5OC(=O)C3(OC3OC(=O)[C@H](O)C43C([C@H]5N=[N+]=[N-])C(C)(C)C)[C@@]12O
Show InChI InChI=1S/C20H23N3O10/c1-5-12(26)30-11-8(24)18-10-6(22-23-21)7(16(2,3)4)17(18)9(25)13(27)32-15(17)33-20(18,14(28)31-10)19(5,11)29/h5-11,15,24-25,29H,1-4H3/t5-,6-,7?,8+,9+,10?,11?,15?,17?,18?,19-,20?/m1/s1
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550n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (guinea pig) transgenic mouse muscle membrane


J Med Chem 46: 601-8 (2003)


Article DOI: 10.1021/jm0203985
BindingDB Entry DOI: 10.7270/Q2CC1023
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50123633
PNG
(8-(tert-butyl)-6,12,17-trihydroxy-16-methyl-9-meth...)
Show SMILES CN[C@H]1C2OC(=O)C34OC5OC(=O)[C@H](O)C5(C1C(C)(C)C)C23[C@@H](O)C1OC(=O)[C@@H](C)[C@]41O
Show InChI InChI=1S/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6-,7-,8?,9+,10+,11?,12?,16?,18?,19?,20-,21?/m1/s1
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610n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (guinea pig) transgenic mouse muscle membrane


J Med Chem 46: 601-8 (2003)


Article DOI: 10.1021/jm0203985
BindingDB Entry DOI: 10.7270/Q2CC1023
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50123631
PNG
(8-(tert-butyl)-6,12,17-trihydroxy-16-methyl-9-ethy...)
Show SMILES CCN[C@H]1C2OC(=O)C34OC5OC(=O)[C@H](O)C5(C1C(C)(C)C)C23[C@@H](O)C1OC(=O)[C@@H](C)[C@]41O
Show InChI InChI=1S/C22H29NO10/c1-6-23-8-9(18(3,4)5)19-11(25)15(27)32-17(19)33-22-16(28)31-12(8)20(19,22)10(24)13-21(22,29)7(2)14(26)30-13/h7-13,17,23-25,29H,6H2,1-5H3/t7-,8-,9?,10+,11+,12?,13?,17?,19?,20?,21-,22?/m1/s1
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1.62E+3n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (guinea pig) transgenic mouse muscle membrane


J Med Chem 46: 601-8 (2003)


Article DOI: 10.1021/jm0203985
BindingDB Entry DOI: 10.7270/Q2CC1023
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50208086
PNG
((1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-6,1...)
Show SMILES CN[C@@H]1C2OC(=O)[C@]34OC5OC(=O)[C@H](O)C5([C@@H]1C(C)(C)C)[C@@]23[C@@H](O)[C@@H]1OC(=O)[C@@H](C)[C@]41O
Show InChI InChI=1S/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6-,7+,8+,9+,10+,11?,12+,16?,18?,19-,20-,21+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha2GlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50208061
PNG
((1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-9-(...)
Show SMILES CCN[C@@H]1C2OC(=O)[C@]34OC5OC(=O)[C@H](O)C5([C@@H]1C(C)(C)C)[C@@]23[C@@H](O)[C@@H]1OC(=O)[C@@H](C)[C@]41O
Show InChI InChI=1S/C22H29NO10/c1-6-23-8-9(18(3,4)5)19-11(25)15(27)32-17(19)33-22-16(28)31-12(8)20(19,22)10(24)13-21(22,29)7(2)14(26)30-13/h7-13,17,23-25,29H,6H2,1-5H3/t7-,8+,9+,10+,11+,12?,13+,17?,19?,20-,21-,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha2GlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50208086
PNG
((1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-6,1...)
Show SMILES CN[C@@H]1C2OC(=O)[C@]34OC5OC(=O)[C@H](O)C5([C@@H]1C(C)(C)C)[C@@]23[C@@H](O)[C@@H]1OC(=O)[C@@H](C)[C@]41O
Show InChI InChI=1S/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6-,7+,8+,9+,10+,11?,12+,16?,18?,19-,20-,21+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1betaGlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50208086
PNG
((1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-6,1...)
Show SMILES CN[C@@H]1C2OC(=O)[C@]34OC5OC(=O)[C@H](O)C5([C@@H]1C(C)(C)C)[C@@]23[C@@H](O)[C@@H]1OC(=O)[C@@H](C)[C@]41O
Show InChI InChI=1S/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6-,7+,8+,9+,10+,11?,12+,16?,18?,19-,20-,21+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1GlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50208061
PNG
((1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-9-(...)
Show SMILES CCN[C@@H]1C2OC(=O)[C@]34OC5OC(=O)[C@H](O)C5([C@@H]1C(C)(C)C)[C@@]23[C@@H](O)[C@@H]1OC(=O)[C@@H](C)[C@]41O
Show InChI InChI=1S/C22H29NO10/c1-6-23-8-9(18(3,4)5)19-11(25)15(27)32-17(19)33-22-16(28)31-12(8)20(19,22)10(24)13-21(22,29)7(2)14(26)30-13/h7-13,17,23-25,29H,6H2,1-5H3/t7-,8+,9+,10+,11+,12?,13+,17?,19?,20-,21-,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1GlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50208061
PNG
((1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-9-(...)
Show SMILES CCN[C@@H]1C2OC(=O)[C@]34OC5OC(=O)[C@H](O)C5([C@@H]1C(C)(C)C)[C@@]23[C@@H](O)[C@@H]1OC(=O)[C@@H](C)[C@]41O
Show InChI InChI=1S/C22H29NO10/c1-6-23-8-9(18(3,4)5)19-11(25)15(27)32-17(19)33-22-16(28)31-12(8)20(19,22)10(24)13-21(22,29)7(2)14(26)30-13/h7-13,17,23-25,29H,6H2,1-5H3/t7-,8+,9+,10+,11+,12?,13+,17?,19?,20-,21-,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1betaGlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair