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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 1763   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339426
PNG
(US10202330, Example 18)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C1C[C@@H]1NCCC1CCCCC1 |r|
PDB
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50n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339419
PNG
(US10202330, Example 10)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3ccc(Cl)cc3)c2c1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339420
PNG
(US10202330, Example 11)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(OC)c3)c2c1 |r|
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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339411
PNG
(US10202330, Example 2)
Show SMILES COc1cc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2cc1OC |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339410
PNG
(US10202330, Example 1)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1 |r|
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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339427
PNG
(US10202330, Example 20)
Show SMILES COc1ccc2CCCC(CCN[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1 |r|
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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339410
PNG
(US10202330, Example 1)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1 |r|
PDB

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339425
PNG
(US10202330, Example 16)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4cccc(Br)c4)cc3)c2c1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339424
PNG
(US10202330, Example 15)
Show SMILES Brc1cccc(COc2ccc(cc2)C2C[C@@H]2NCCC2CCCCC2)c1 |r|
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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339424
PNG
(US10202330, Example 15)
Show SMILES Brc1cccc(COc2ccc(cc2)C2C[C@@H]2NCCC2CCCCC2)c1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339423
PNG
(US10202330, Example 14)
Show SMILES C(CC1CCCCCC1)N[C@H]1CC1c1ccccc1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339422
PNG
(US10202330, Example 13)
Show SMILES C(CN[C@H]1CC1c1ccccc1)CC1CCCCC1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339421
PNG
(US10202330, Example 12)
Show SMILES C(CC1CCCCC1)N[C@H]1CC1c1ccccc1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339418
PNG
(US10202330, Example 9)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(Cl)c3)c2c1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339417
PNG
(US10202330, Example 8)
Show SMILES COc1ccc2CCCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339416
PNG
(US10202330, Example 7)
Show SMILES FC(F)(F)c1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339415
PNG
(US10202330, Example 6)
Show SMILES Clc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339414
PNG
(US10202330, Example 5)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339413
PNG
(US10202330, Example 4)
Show SMILES C1[C@H](NC2CCc3ccccc23)C1c1ccccc1 |r|
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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339412
PNG
(US10202330, Example 3)
Show SMILES COc1ccc2C(CCc2c1OC)N[C@H]1CC1c1ccc(OCc2ccccc2)cc1 |r|
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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339427
PNG
(US10202330, Example 20)
Show SMILES COc1ccc2CCCC(CCN[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1 |r|
PDB

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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339412
PNG
(US10202330, Example 3)
Show SMILES COc1ccc2C(CCc2c1OC)N[C@H]1CC1c1ccc(OCc2ccccc2)cc1 |r|
PDB

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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339417
PNG
(US10202330, Example 8)
Show SMILES COc1ccc2CCCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
PDB

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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339425
PNG
(US10202330, Example 16)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4cccc(Br)c4)cc3)c2c1 |r|
PDB

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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339418
PNG
(US10202330, Example 9)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(Cl)c3)c2c1 |r|
PDB

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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339418
PNG
(US10202330, Example 9)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(Cl)c3)c2c1 |r|
PDB

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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339425
PNG
(US10202330, Example 16)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4cccc(Br)c4)cc3)c2c1 |r|
PDB

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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339419
PNG
(US10202330, Example 10)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3ccc(Cl)cc3)c2c1 |r|
PDB

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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339419
PNG
(US10202330, Example 10)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3ccc(Cl)cc3)c2c1 |r|
PDB

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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339411
PNG
(US10202330, Example 2)
Show SMILES COc1cc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2cc1OC |r|
PDB

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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339420
PNG
(US10202330, Example 11)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(OC)c3)c2c1 |r|
PDB

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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339420
PNG
(US10202330, Example 11)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(OC)c3)c2c1 |r|
PDB

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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339411
PNG
(US10202330, Example 2)
Show SMILES COc1cc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2cc1OC |r|
PDB

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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339421
PNG
(US10202330, Example 12)
Show SMILES C(CC1CCCCC1)N[C@H]1CC1c1ccccc1 |r|
PDB

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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339421
PNG
(US10202330, Example 12)
Show SMILES C(CC1CCCCC1)N[C@H]1CC1c1ccccc1 |r|
PDB

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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339427
PNG
(US10202330, Example 20)
Show SMILES COc1ccc2CCCC(CCN[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1 |r|
PDB

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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339422
PNG
(US10202330, Example 13)
Show SMILES C(CN[C@H]1CC1c1ccccc1)CC1CCCCC1 |r|
PDB

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US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339422
PNG
(US10202330, Example 13)
Show SMILES C(CN[C@H]1CC1c1ccccc1)CC1CCCCC1 |r|
PDB

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ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339426
PNG
(US10202330, Example 18)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C1C[C@@H]1NCCC1CCCCC1 |r|
PDB

UniProtKB/SwissProt

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ORYZON GENOMICS, SA

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339423
PNG
(US10202330, Example 14)
Show SMILES C(CC1CCCCCC1)N[C@H]1CC1c1ccccc1 |r|
PDB

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339417
PNG
(US10202330, Example 8)
Show SMILES COc1ccc2CCCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
PDB

UniProtKB/SwissProt

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339412
PNG
(US10202330, Example 3)
Show SMILES COc1ccc2C(CCc2c1OC)N[C@H]1CC1c1ccc(OCc2ccccc2)cc1 |r|
PDB

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339410
PNG
(US10202330, Example 1)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1 |r|
PDB

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339415
PNG
(US10202330, Example 6)
Show SMILES Clc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
PDB

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339415
PNG
(US10202330, Example 6)
Show SMILES Clc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
PDB

UniProtKB/SwissProt

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339424
PNG
(US10202330, Example 15)
Show SMILES Brc1cccc(COc2ccc(cc2)C2C[C@@H]2NCCC2CCCCC2)c1 |r|
PDB

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339414
PNG
(US10202330, Example 5)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
PDB

UniProtKB/SwissProt

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM339414
PNG
(US10202330, Example 5)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
PDB

UniProtKB/SwissProt

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339426
PNG
(US10202330, Example 18)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C1C[C@@H]1NCCC1CCCCC1 |r|
PDB

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM339413
PNG
(US10202330, Example 4)
Show SMILES C1[C@H](NC2CCc3ccccc23)C1c1ccccc1 |r|
PDB

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US Patent US10202330 (2019)

More data for this
Ligand-Target Pair
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