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4 similar compounds to monomer 118206

Wt: 494.5
BDBM118207
Wt: 422.4
BDBM118210
Wt: 490.5
BDBM118211
Wt: 506.5
BDBM118216

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 118207,118210,118211,118216   
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))
BDBM118207
PNG
(US8673966, tert-butyl 3-((3-(4-(methylsulfonamido)...)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C26H26N2O6S/c1-26(2,3)34-25(30)28-14-18(15-28)6-5-17-7-12-21-23(13-17)33-16-22(24(21)29)19-8-10-20(11-9-19)27-35(4,31)32/h7-13,16,18,27H,14-15H2,1-4H3
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem

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US Patent
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
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM118210
PNG
(US8673966, N-(4-(4-oxo-7-(piperidin-4-ylethynyl)-4...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCNCC1
Show InChI InChI=1S/C23H22N2O4S/c1-30(27,28)25-19-7-5-18(6-8-19)21-15-29-22-14-17(4-9-20(22)23(21)26)3-2-16-10-12-24-13-11-16/h4-9,14-16,24-25H,10-13H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

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UniChem

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US Patent
n/an/a 174n/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))
BDBM118211
PNG
(US8673966, N-(4-(7-((1-(cyclopropanecarbonyl)piper...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H26N2O5S/c1-35(32,33)28-22-9-7-20(8-10-22)24-17-34-25-16-19(4-11-23(25)26(24)30)3-2-18-12-14-29(15-13-18)27(31)21-5-6-21/h4,7-11,16-18,21,28H,5-6,12-15H2,1H3
PDB
MMDB

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US Patent
n/an/a 6.5n/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))
BDBM118216
PNG
(US8673966, cyclopentyl 3-((3-(4- (methylsulfonamid...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)OC1CCCC1
Show InChI InChI=1S/C27H26N2O6S/c1-36(32,33)28-21-11-9-20(10-12-21)24-17-34-25-14-18(8-13-23(25)26(24)30)6-7-19-15-29(16-19)27(31)35-22-4-2-3-5-22/h8-14,17,19,22,28H,2-5,15-16H2,1H3
PDB
MMDB

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UniChem

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US Patent
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))
BDBM118207
PNG
(US8673966, tert-butyl 3-((3-(4-(methylsulfonamido)...)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C26H26N2O6S/c1-26(2,3)34-25(30)28-14-18(15-28)6-5-17-7-12-21-23(13-17)33-16-22(24(21)29)19-8-10-20(11-9-19)27-35(4,31)32/h7-13,16,18,27H,14-15H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM118207
PNG
(US8673966, tert-butyl 3-((3-(4-(methylsulfonamido)...)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
Show InChI InChI=1S/C26H26N2O6S/c1-26(2,3)34-25(30)28-14-18(15-28)6-5-17-7-12-21-23(13-17)33-16-22(24(21)29)19-8-10-20(11-9-19)27-35(4,31)32/h7-13,16,18,27H,14-15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM118211
PNG
(US8673966, N-(4-(7-((1-(cyclopropanecarbonyl)piper...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H26N2O5S/c1-35(32,33)28-22-9-7-20(8-10-22)24-17-34-25-16-19(4-11-23(25)26(24)30)3-2-18-12-14-29(15-13-18)27(31)21-5-6-21/h4,7-11,16-18,21,28H,5-6,12-15H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM118216
PNG
(US8673966, cyclopentyl 3-((3-(4- (methylsulfonamid...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)OC1CCCC1
Show InChI InChI=1S/C27H26N2O6S/c1-36(32,33)28-21-11-9-20(10-12-21)24-17-34-25-14-18(8-13-23(25)26(24)30)6-7-19-15-29(16-19)27(31)35-22-4-2-3-5-22/h8-14,17,19,22,28H,2-5,15-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM118210
PNG
(US8673966, N-(4-(4-oxo-7-(piperidin-4-ylethynyl)-4...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCNCC1
Show InChI InChI=1S/C23H22N2O4S/c1-30(27,28)25-19-7-5-18(6-8-19)21-15-29-22-14-17(4-9-20(22)23(21)26)3-2-16-10-12-24-13-11-16/h4-9,14-16,24-25H,10-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM118211
PNG
(US8673966, N-(4-(7-((1-(cyclopropanecarbonyl)piper...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H26N2O5S/c1-35(32,33)28-22-9-7-20(8-10-22)24-17-34-25-16-19(4-11-23(25)26(24)30)3-2-18-12-14-29(15-13-18)27(31)21-5-6-21/h4,7-11,16-18,21,28H,5-6,12-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM118216
PNG
(US8673966, cyclopentyl 3-((3-(4- (methylsulfonamid...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)OC1CCCC1
Show InChI InChI=1S/C27H26N2O6S/c1-36(32,33)28-21-11-9-20(10-12-21)24-17-34-25-14-18(8-13-23(25)26(24)30)6-7-19-15-29(16-19)27(31)35-22-4-2-3-5-22/h8-14,17,19,22,28H,2-5,15-16H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM118210
PNG
(US8673966, N-(4-(4-oxo-7-(piperidin-4-ylethynyl)-4...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCNCC1
Show InChI InChI=1S/C23H22N2O4S/c1-30(27,28)25-19-7-5-18(6-8-19)21-15-29-22-14-17(4-9-20(22)23(21)26)3-2-16-10-12-24-13-11-16/h4-9,14-16,24-25H,10-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.10E+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