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6 similar compounds to monomer 118203

Wt: 379.4
BDBM118193
Wt: 415.4
BDBM118194
Wt: 383.4
BDBM118197
Wt: 416.4
BDBM118200
Wt: 417.4
BDBM118202
Wt: 432.4
BDBM118208

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 118193,118194,118197,118200,118202,118208   
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
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118193
PNG
(US8673966, N-(4-(7-(cyclopropylethynyl)-4-oxo-4H- ...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CC1
Show InChI InChI=1S/C21H17NO4S/c1-27(24,25)22-17-9-7-16(8-10-17)19-13-26-20-12-15(5-4-14-2-3-14)6-11-18(20)21(19)23/h6-14,22H,2-3H2,1H3
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n/an/a 57.7n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM118208
PNG
(US8673966, N-(4-(4-oxo-7-((2-oxo-1,2-dihydropyridi...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cc[nH]c(=O)c1
Show InChI InChI=1S/C23H16N2O5S/c1-31(28,29)25-18-7-5-17(6-8-18)20-14-30-21-12-15(4-9-19(21)23(20)27)2-3-16-10-11-24-22(26)13-16/h4-14,25H,1H3,(H,24,26)
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US Patent
n/an/a>1.30E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118197
PNG
(US8673966, N-(4-(7-(3-methoxyprop-1-ynyl)-4-oxo-4H...)
Show SMILES COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C20H17NO5S/c1-25-11-3-4-14-5-10-17-19(12-14)26-13-18(20(17)22)15-6-8-16(9-7-15)21-27(2,23)24/h5-10,12-13,21H,11H2,1-2H3
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n/an/a 47n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118200
PNG
(US8673966, N-(4-(4-oxo-7-(pyridin-2-ylethynyl)-4H-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccn1
Show InChI InChI=1S/C23H16N2O4S/c1-30(27,28)25-19-10-7-17(8-11-19)21-15-29-22-14-16(6-12-20(22)23(21)26)5-9-18-4-2-3-13-24-18/h2-4,6-8,10-15,25H,1H3
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n/an/a 90n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118202
PNG
(US8673966, N-(4-(4-oxo-7-(pyrimidin-5-ylethynyl)-4...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cncnc1
Show InChI InChI=1S/C22H15N3O4S/c1-30(27,28)25-18-7-5-17(6-8-18)20-13-29-21-10-15(4-9-19(21)22(20)26)2-3-16-11-23-14-24-12-16/h4-14,25H,1H3
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n/an/a 57n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118208
PNG
(US8673966, N-(4-(4-oxo-7-((2-oxo-1,2-dihydropyridi...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cc[nH]c(=O)c1
Show InChI InChI=1S/C23H16N2O5S/c1-31(28,29)25-18-7-5-17(6-8-18)20-14-30-21-12-15(4-9-19(21)23(20)27)2-3-16-10-11-24-22(26)13-16/h4-14,25H,1H3,(H,24,26)
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n/an/a 9n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM118193
PNG
(US8673966, N-(4-(7-(cyclopropylethynyl)-4-oxo-4H- ...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CC1
Show InChI InChI=1S/C21H17NO4S/c1-27(24,25)22-17-9-7-16(8-10-17)19-13-26-20-12-15(5-4-14-2-3-14)6-11-18(20)21(19)23/h6-14,22H,2-3H2,1H3
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n/an/a>1.30E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM118194
PNG
(US8673966, N-(4-(4-oxo-7-(phenylethynyl)-4H-chrome...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccc1
Show InChI InChI=1S/C24H17NO4S/c1-30(27,28)25-20-12-10-19(11-13-20)22-16-29-23-15-18(9-14-21(23)24(22)26)8-7-17-5-3-2-4-6-17/h2-6,9-16,25H,1H3
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US Patent
n/an/a>1.30E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM118197
PNG
(US8673966, N-(4-(7-(3-methoxyprop-1-ynyl)-4-oxo-4H...)
Show SMILES COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C20H17NO5S/c1-25-11-3-4-14-5-10-17-19(12-14)26-13-18(20(17)22)15-6-8-16(9-7-15)21-27(2,23)24/h5-10,12-13,21H,11H2,1-2H3
UniProtKB/SwissProt

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PC sid
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US Patent
n/an/a>1.30E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM118200
PNG
(US8673966, N-(4-(4-oxo-7-(pyridin-2-ylethynyl)-4H-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccn1
Show InChI InChI=1S/C23H16N2O4S/c1-30(27,28)25-19-10-7-17(8-11-19)21-15-29-22-14-16(6-12-20(22)23(21)26)5-9-18-4-2-3-13-24-18/h2-4,6-8,10-15,25H,1H3
UniProtKB/SwissProt

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PC sid
UniChem

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US Patent
n/an/a>1.30E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM118202
PNG
(US8673966, N-(4-(4-oxo-7-(pyrimidin-5-ylethynyl)-4...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cncnc1
Show InChI InChI=1S/C22H15N3O4S/c1-30(27,28)25-18-7-5-17(6-8-18)20-13-29-21-10-15(4-9-19(21)22(20)26)2-3-16-11-23-14-24-12-16/h4-14,25H,1H3
UniProtKB/SwissProt

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PC sid
UniChem

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US Patent
n/an/a>1.30E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM118208
PNG
(US8673966, N-(4-(4-oxo-7-((2-oxo-1,2-dihydropyridi...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cc[nH]c(=O)c1
Show InChI InChI=1S/C23H16N2O5S/c1-31(28,29)25-18-7-5-17(6-8-18)20-14-30-21-12-15(4-9-19(21)23(20)27)2-3-16-10-11-24-22(26)13-16/h4-14,25H,1H3,(H,24,26)
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UniChem

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US Patent
n/an/a>1.30E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM118193
PNG
(US8673966, N-(4-(7-(cyclopropylethynyl)-4-oxo-4H- ...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CC1
Show InChI InChI=1S/C21H17NO4S/c1-27(24,25)22-17-9-7-16(8-10-17)19-13-26-20-12-15(5-4-14-2-3-14)6-11-18(20)21(19)23/h6-14,22H,2-3H2,1H3
PDB

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US Patent
n/an/a>1.30E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM118194
PNG
(US8673966, N-(4-(4-oxo-7-(phenylethynyl)-4H-chrome...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccc1
Show InChI InChI=1S/C24H17NO4S/c1-30(27,28)25-20-12-10-19(11-13-20)22-16-29-23-15-18(9-14-21(23)24(22)26)8-7-17-5-3-2-4-6-17/h2-6,9-16,25H,1H3
PDB

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US Patent
n/an/a>1.30E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM118197
PNG
(US8673966, N-(4-(7-(3-methoxyprop-1-ynyl)-4-oxo-4H...)
Show SMILES COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C20H17NO5S/c1-25-11-3-4-14-5-10-17-19(12-14)26-13-18(20(17)22)15-6-8-16(9-7-15)21-27(2,23)24/h5-10,12-13,21H,11H2,1-2H3
PDB

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US Patent
n/an/a>1.30E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM118200
PNG
(US8673966, N-(4-(4-oxo-7-(pyridin-2-ylethynyl)-4H-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccn1
Show InChI InChI=1S/C23H16N2O4S/c1-30(27,28)25-19-10-7-17(8-11-19)21-15-29-22-14-16(6-12-20(22)23(21)26)5-9-18-4-2-3-13-24-18/h2-4,6-8,10-15,25H,1H3
PDB

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US Patent
n/an/a>1.30E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM118202
PNG
(US8673966, N-(4-(4-oxo-7-(pyrimidin-5-ylethynyl)-4...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cncnc1
Show InChI InChI=1S/C22H15N3O4S/c1-30(27,28)25-18-7-5-17(6-8-18)20-13-29-21-10-15(4-9-19(21)22(20)26)2-3-16-11-23-14-24-12-16/h4-14,25H,1H3
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n/an/a 1.14E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118194
PNG
(US8673966, N-(4-(4-oxo-7-(phenylethynyl)-4H-chrome...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccc1
Show InChI InChI=1S/C24H17NO4S/c1-30(27,28)25-20-12-10-19(11-13-20)22-16-29-23-15-18(9-14-21(23)24(22)26)8-7-17-5-3-2-4-6-17/h2-6,9-16,25H,1H3
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n/an/a 329n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


Citation and Details
More data for this
Ligand-Target Pair