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Patent code US10781182

Compile Data Set for Download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metallothionein-2


(Human)
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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US Patent
0.0420n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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US Patent
0.200n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metallothionein-2


(Human)
BDBM463447
PNG
(US10781182, Compound IA2-143)
Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)
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US Patent
0.800n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM463444
PNG
(US10781182, Compound IA2-121)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)
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0.880n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
Metallothionein-2


(Human)
BDBM463444
PNG
(US10781182, Compound IA2-121)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)
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US Patent
0.930n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM463443
PNG
(US10781182, Compound IA2-120)
Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)
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1.10n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
Metallothionein-2


(Human)
BDBM463446
PNG
(US10781182, Compound IA2-142)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H20ClN3O3/c1-4-22-15-18-12-8-11(16)14(21-3)9-13(12)19(15)7-5-6-17-10(2)20/h8-9H,4-7H2,1-3H3,(H,17,20)
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US Patent
1.60n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM463447
PNG
(US10781182, Compound IA2-143)
Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)
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2.10n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM463445
PNG
(US10781182, Compound IA2-140)
Show SMILES COc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
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2.20n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
Metallothionein-2


(Human)
BDBM463443
PNG
(US10781182, Compound IA2-120)
Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)
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US Patent
4.5n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
Metallothionein-2


(Human)
BDBM463445
PNG
(US10781182, Compound IA2-140)
Show SMILES COc1nc2ccc(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
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US Patent
11n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM463446
PNG
(US10781182, Compound IA2-142)
Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O
Show InChI InChI=1S/C15H20ClN3O3/c1-4-22-15-18-12-8-11(16)14(21-3)9-13(12)19(15)7-5-6-17-10(2)20/h8-9H,4-7H2,1-3H3,(H,17,20)
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13n/an/an/an/an/an/an/an/a



ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A.

US Patent


Assay Description
The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...


US Patent US10781182 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%