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Compile Data Set for Download or QSAR

Found 3085 hits with Last Name = 'kanouni' and Initial = 't'   
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 demethylase 4C


(Homo sapiens (Human))
BDBM277769
PNG
(3-({5-fluoro-1-[(3S)-tetrahydrofuran-3-yl]-1H-inda...)
Show SMILES OC(=O)c1ccncc1Nc1nn([C@H]2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)/t11-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277770
PNG
(3-({5-fluoro-1-[(3R)-tetrahydrofuran-3-yl]-1H-inda...)
Show SMILES OC(=O)c1ccncc1Nc1nn([C@@H]2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)/t11-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277770
PNG
(3-({5-fluoro-1-[(3R)-tetrahydrofuran-3-yl]-1H-inda...)
Show SMILES OC(=O)c1ccncc1Nc1nn([C@@H]2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)/t11-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277770
PNG
(3-({5-fluoro-1-[(3R)-tetrahydrofuran-3-yl]-1H-inda...)
Show SMILES OC(=O)c1ccncc1Nc1nn([C@@H]2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)/t11-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277771
PNG
(3-{[5-fluoro-1-(tetrahydrofuran-3-yl)-1H-indol-3-y...)
Show SMILES OC(=O)c1ccncc1Nc1cn(C2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H16FN3O3/c19-11-1-2-17-14(7-11)16(9-22(17)12-4-6-25-10-12)21-15-8-20-5-3-13(15)18(23)24/h1-3,5,7-9,12,21H,4,6,10H2,(H,23,24)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277771
PNG
(3-{[5-fluoro-1-(tetrahydrofuran-3-yl)-1H-indol-3-y...)
Show SMILES OC(=O)c1ccncc1Nc1cn(C2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H16FN3O3/c19-11-1-2-17-14(7-11)16(9-22(17)12-4-6-25-10-12)21-15-8-20-5-3-13(15)18(23)24/h1-3,5,7-9,12,21H,4,6,10H2,(H,23,24)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277772
PNG
(3-{[5-chloro-1-(tetrahydrofuran-3-yl)-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCOC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H15ClN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277772
PNG
(3-{[5-chloro-1-(tetrahydrofuran-3-yl)-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCOC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H15ClN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277773
PNG
(N-cyano-3-({5-fluoro-1-[(3S)-tetrahydrofuran-3-yl]...)
Show SMILES Fc1ccc2n(nc(Nc3cnccc3C(=O)NC#N)c2c1)[C@H]1CCOC1
Show InChI InChI=1S/C18H15FN6O2/c19-11-1-2-16-14(7-11)17(24-25(16)12-4-6-27-9-12)23-15-8-21-5-3-13(15)18(26)22-10-20/h1-3,5,7-8,12H,4,6,9H2,(H,22,26)(H,23,24)/t12-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277773
PNG
(N-cyano-3-({5-fluoro-1-[(3S)-tetrahydrofuran-3-yl]...)
Show SMILES Fc1ccc2n(nc(Nc3cnccc3C(=O)NC#N)c2c1)[C@H]1CCOC1
Show InChI InChI=1S/C18H15FN6O2/c19-11-1-2-16-14(7-11)17(24-25(16)12-4-6-27-9-12)23-15-8-21-5-3-13(15)18(26)22-10-20/h1-3,5,7-8,12H,4,6,9H2,(H,22,26)(H,23,24)/t12-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277774
PNG
(3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl]-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)C2)c2ccc(F)cc12
Show InChI InChI=1S/C19H18F3N5O2/c20-12-1-2-16-14(9-12)17(24-15-10-23-5-3-13(15)18(28)29)25-27(16)8-7-26-6-4-19(21,22)11-26/h1-3,5,9-10H,4,6-8,11H2,(H,24,25)(H,28,29)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277774
PNG
(3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl]-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)C2)c2ccc(F)cc12
Show InChI InChI=1S/C19H18F3N5O2/c20-12-1-2-16-14(9-12)17(24-15-10-23-5-3-13(15)18(28)29)25-27(16)8-7-26-6-4-19(21,22)11-26/h1-3,5,9-10H,4,6-8,11H2,(H,24,25)(H,28,29)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277774
PNG
(3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl]-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)C2)c2ccc(F)cc12
Show InChI InChI=1S/C19H18F3N5O2/c20-12-1-2-16-14(9-12)17(24-15-10-23-5-3-13(15)18(28)29)25-27(16)8-7-26-6-4-19(21,22)11-26/h1-3,5,9-10H,4,6-8,11H2,(H,24,25)(H,28,29)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM191597
PNG
(3-((1-(2-(4,4-difluoropiperidin-1-yl)ethyl)-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C20H20F3N5O2/c21-13-1-2-17-15(11-13)18(25-16-12-24-6-3-14(16)19(29)30)26-28(17)10-9-27-7-4-20(22,23)5-8-27/h1-3,6,11-12H,4-5,7-10H2,(H,25,26)(H,29,30)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM191597
PNG
(3-((1-(2-(4,4-difluoropiperidin-1-yl)ethyl)-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C20H20F3N5O2/c21-13-1-2-17-15(11-13)18(25-16-12-24-6-3-14(16)19(29)30)26-28(17)10-9-27-7-4-20(22,23)5-8-27/h1-3,6,11-12H,4-5,7-10H2,(H,25,26)(H,29,30)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM191597
PNG
(3-((1-(2-(4,4-difluoropiperidin-1-yl)ethyl)-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C20H20F3N5O2/c21-13-1-2-17-15(11-13)18(25-16-12-24-6-3-14(16)19(29)30)26-28(17)10-9-27-7-4-20(22,23)5-8-27/h1-3,6,11-12H,4-5,7-10H2,(H,25,26)(H,29,30)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158803
PNG
(CHEMBL3787438 | US10040779, Example 75 | US9617242...)
Show SMILES CC(C)Cn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc12
Show InChI InChI=1S/C18H17FN6O/c1-11(2)9-25-16-4-3-12(19)7-14(16)17(24-25)23-15-8-21-6-5-13(15)18(26)22-10-20/h3-8,11H,9H2,1-2H3,(H,22,26)(H,23,24)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158803
PNG
(CHEMBL3787438 | US10040779, Example 75 | US9617242...)
Show SMILES CC(C)Cn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc12
Show InChI InChI=1S/C18H17FN6O/c1-11(2)9-25-16-4-3-12(19)7-14(16)17(24-25)23-15-8-21-6-5-13(15)18(26)22-10-20/h3-8,11H,9H2,1-2H3,(H,22,26)(H,23,24)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277779
PNG
(N-cyano-3-({1-[4-(dimethylamino)butyl]-5-fluoro-1H...)
Show SMILES CN(C)CCCCn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc12
Show InChI InChI=1S/C20H22FN7O/c1-27(2)9-3-4-10-28-18-6-5-14(21)11-16(18)19(26-28)25-17-12-23-8-7-15(17)20(29)24-13-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,29)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277779
PNG
(N-cyano-3-({1-[4-(dimethylamino)butyl]-5-fluoro-1H...)
Show SMILES CN(C)CCCCn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc12
Show InChI InChI=1S/C20H22FN7O/c1-27(2)9-3-4-10-28-18-6-5-14(21)11-16(18)19(26-28)25-17-12-23-8-7-15(17)20(29)24-13-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,29)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277780
PNG
(N-cyano-3-({5-fluoro-1-[2-(pyrrolidin-1-yl)ethyl]-...)
Show SMILES Fc1ccc2n(CCN3CCCC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H20FN7O/c21-14-3-4-18-16(11-14)19(26-28(18)10-9-27-7-1-2-8-27)25-17-12-23-6-5-15(17)20(29)24-13-22/h3-6,11-12H,1-2,7-10H2,(H,24,29)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277780
PNG
(N-cyano-3-({5-fluoro-1-[2-(pyrrolidin-1-yl)ethyl]-...)
Show SMILES Fc1ccc2n(CCN3CCCC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H20FN7O/c21-14-3-4-18-16(11-14)19(26-28(18)10-9-27-7-1-2-8-27)25-17-12-23-6-5-15(17)20(29)24-13-22/h3-6,11-12H,1-2,7-10H2,(H,24,29)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277780
PNG
(N-cyano-3-({5-fluoro-1-[2-(pyrrolidin-1-yl)ethyl]-...)
Show SMILES Fc1ccc2n(CCN3CCCC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H20FN7O/c21-14-3-4-18-16(11-14)19(26-28(18)10-9-27-7-1-2-8-27)25-17-12-23-6-5-15(17)20(29)24-13-22/h3-6,11-12H,1-2,7-10H2,(H,24,29)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277781
PNG
(3-({5-chloro-1-[2-(pyrrolidin-1-yl)ethyl]-1H-indaz...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H20ClN5O2/c20-13-3-4-17-15(11-13)18(22-16-12-21-6-5-14(16)19(26)27)23-25(17)10-9-24-7-1-2-8-24/h3-6,11-12H,1-2,7-10H2,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277781
PNG
(3-({5-chloro-1-[2-(pyrrolidin-1-yl)ethyl]-1H-indaz...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H20ClN5O2/c20-13-3-4-17-15(11-13)18(22-16-12-21-6-5-14(16)19(26)27)23-25(17)10-9-24-7-1-2-8-24/h3-6,11-12H,1-2,7-10H2,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277781
PNG
(3-({5-chloro-1-[2-(pyrrolidin-1-yl)ethyl]-1H-indaz...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H20ClN5O2/c20-13-3-4-17-15(11-13)18(22-16-12-21-6-5-14(16)19(26)27)23-25(17)10-9-24-7-1-2-8-24/h3-6,11-12H,1-2,7-10H2,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277782
PNG
(N-cyano-3-({5-chloro-1-[2-(pyrrolidin-1-yl)ethyl]-...)
Show SMILES Clc1ccc2n(CCN3CCCC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H20ClN7O/c21-14-3-4-18-16(11-14)19(26-28(18)10-9-27-7-1-2-8-27)25-17-12-23-6-5-15(17)20(29)24-13-22/h3-6,11-12H,1-2,7-10H2,(H,24,29)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277782
PNG
(N-cyano-3-({5-chloro-1-[2-(pyrrolidin-1-yl)ethyl]-...)
Show SMILES Clc1ccc2n(CCN3CCCC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H20ClN7O/c21-14-3-4-18-16(11-14)19(26-28(18)10-9-27-7-1-2-8-27)25-17-12-23-6-5-15(17)20(29)24-13-22/h3-6,11-12H,1-2,7-10H2,(H,24,29)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277747
PNG
(3-{[5-fluoro-1-(5-hydroxypentyl)-1H-indazol-3-yl]a...)
Show SMILES OCCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C18H19FN4O3/c19-12-4-5-16-14(10-12)17(22-23(16)8-2-1-3-9-24)21-15-11-20-7-6-13(15)18(25)26/h4-7,10-11,24H,1-3,8-9H2,(H,21,22)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277747
PNG
(3-{[5-fluoro-1-(5-hydroxypentyl)-1H-indazol-3-yl]a...)
Show SMILES OCCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C18H19FN4O3/c19-12-4-5-16-14(10-12)17(22-23(16)8-2-1-3-9-24)21-15-11-20-7-6-13(15)18(25)26/h4-7,10-11,24H,1-3,8-9H2,(H,21,22)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277748
PNG
(3-[(5-methyl-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cccc(C)c12
Show InChI InChI=1S/C17H18N4O2/c1-3-9-21-15-11(2)5-4-6-13(15)16(20-21)19-14-10-18-8-7-12(14)17(22)23/h4-8,10H,3,9H2,1-2H3,(H,19,20)(H,22,23)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277748
PNG
(3-[(5-methyl-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cccc(C)c12
Show InChI InChI=1S/C17H18N4O2/c1-3-9-21-15-11(2)5-4-6-13(15)16(20-21)19-14-10-18-8-7-12(14)17(22)23/h4-8,10H,3,9H2,1-2H3,(H,19,20)(H,22,23)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277749
PNG
(3-({5-fluoro-1-[5-(methylamino)pentyl]-1H-indazol-...)
Show SMILES CNCCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H22ClN5O2/c1-21-8-3-2-4-10-25-17-6-5-13(20)11-15(17)18(24-25)23-16-12-22-9-7-14(16)19(26)27/h5-7,9,11-12,21H,2-4,8,10H2,1H3,(H,23,24)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277749
PNG
(3-({5-fluoro-1-[5-(methylamino)pentyl]-1H-indazol-...)
Show SMILES CNCCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H22ClN5O2/c1-21-8-3-2-4-10-25-17-6-5-13(20)11-15(17)18(24-25)23-16-12-22-9-7-14(16)19(26)27/h5-7,9,11-12,21H,2-4,8,10H2,1H3,(H,23,24)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277749
PNG
(3-({5-fluoro-1-[5-(methylamino)pentyl]-1H-indazol-...)
Show SMILES CNCCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H22ClN5O2/c1-21-8-3-2-4-10-25-17-6-5-13(20)11-15(17)18(24-25)23-16-12-22-9-7-14(16)19(26)27/h5-7,9,11-12,21H,2-4,8,10H2,1H3,(H,23,24)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277750
PNG
(3-({5-fluoro-1-[2-(piperidin-3-yl)ethyl]-1H-indazo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCC2CCCNC2)c2ccc(F)cc12
Show InChI InChI=1S/C20H22FN5O2/c21-14-3-4-18-16(10-14)19(24-17-12-23-8-5-15(17)20(27)28)25-26(18)9-6-13-2-1-7-22-11-13/h3-5,8,10,12-13,22H,1-2,6-7,9,11H2,(H,24,25)(H,27,28)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277750
PNG
(3-({5-fluoro-1-[2-(piperidin-3-yl)ethyl]-1H-indazo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCC2CCCNC2)c2ccc(F)cc12
Show InChI InChI=1S/C20H22FN5O2/c21-14-3-4-18-16(10-14)19(24-17-12-23-8-5-15(17)20(27)28)25-26(18)9-6-13-2-1-7-22-11-13/h3-5,8,10,12-13,22H,1-2,6-7,9,11H2,(H,24,25)(H,27,28)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277750
PNG
(3-({5-fluoro-1-[2-(piperidin-3-yl)ethyl]-1H-indazo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCC2CCCNC2)c2ccc(F)cc12
Show InChI InChI=1S/C20H22FN5O2/c21-14-3-4-18-16(10-14)19(24-17-12-23-8-5-15(17)20(27)28)25-26(18)9-6-13-2-1-7-22-11-13/h3-5,8,10,12-13,22H,1-2,6-7,9,11H2,(H,24,25)(H,27,28)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277751
PNG
(3-{[1-(2,3-dihydroxypropyl)-5-fluoro-1H-indazol-3-...)
Show SMILES OCC(O)Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O4/c17-9-1-2-14-12(5-9)15(20-21(14)7-10(23)8-22)19-13-6-18-4-3-11(13)16(24)25/h1-6,10,22-23H,7-8H2,(H,19,20)(H,24,25)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277751
PNG
(3-{[1-(2,3-dihydroxypropyl)-5-fluoro-1H-indazol-3-...)
Show SMILES OCC(O)Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O4/c17-9-1-2-14-12(5-9)15(20-21(14)7-10(23)8-22)19-13-6-18-4-3-11(13)16(24)25/h1-6,10,22-23H,7-8H2,(H,19,20)(H,24,25)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277751
PNG
(3-{[1-(2,3-dihydroxypropyl)-5-fluoro-1H-indazol-3-...)
Show SMILES OCC(O)Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O4/c17-9-1-2-14-12(5-9)15(20-21(14)7-10(23)8-22)19-13-6-18-4-3-11(13)16(24)25/h1-6,10,22-23H,7-8H2,(H,19,20)(H,24,25)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277752
PNG
(3-({1-[4-(dimethylamino)but-2-yn-1-yl]-5-fluoro- 1...)
Show SMILES CN(C)CC#CCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H18ClN5O2/c1-24(2)9-3-4-10-25-17-6-5-13(20)11-15(17)18(23-25)22-16-12-21-8-7-14(16)19(26)27/h5-8,11-12H,9-10H2,1-2H3,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277752
PNG
(3-({1-[4-(dimethylamino)but-2-yn-1-yl]-5-fluoro- 1...)
Show SMILES CN(C)CC#CCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H18ClN5O2/c1-24(2)9-3-4-10-25-17-6-5-13(20)11-15(17)18(23-25)22-16-12-21-8-7-14(16)19(26)27/h5-8,11-12H,9-10H2,1-2H3,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277752
PNG
(3-({1-[4-(dimethylamino)but-2-yn-1-yl]-5-fluoro- 1...)
Show SMILES CN(C)CC#CCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H18ClN5O2/c1-24(2)9-3-4-10-25-17-6-5-13(20)11-15(17)18(23-25)22-16-12-21-8-7-14(16)19(26)27/h5-8,11-12H,9-10H2,1-2H3,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277753
PNG
(3-({5-fluoro-1-[2-(pyrrolidin-1-yl)ethyl]-1H-indaz...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C19H20FN5O2/c20-13-3-4-17-15(11-13)18(22-16-12-21-6-5-14(16)19(26)27)23-25(17)10-9-24-7-1-2-8-24/h3-6,11-12H,1-2,7-10H2,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277753
PNG
(3-({5-fluoro-1-[2-(pyrrolidin-1-yl)ethyl]-1H-indaz...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C19H20FN5O2/c20-13-3-4-17-15(11-13)18(22-16-12-21-6-5-14(16)19(26)27)23-25(17)10-9-24-7-1-2-8-24/h3-6,11-12H,1-2,7-10H2,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)


Article DOI: 10.1021/jm0310479
More data for this
Ligand-Target Pair
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