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Compile Data Set for Download or QSAR

Found 297 hits Enz. Inhib. hit(s) with all data for entry = 1691   
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))
BDBM320453
PNG
(2-[4-chloro-3-(trifluoro-methoxy)benzyl]-1H-pyrrol...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(OC(F)(F)F)c3)[nH]c12
Show InChI InChI=1S/C16H10ClF3N2O3/c17-11-2-1-8(6-13(11)25-16(18,19)20)5-9-7-12-14(22-9)10(15(23)24)3-4-21-12/h1-4,6-7,22H,5H2,(H,23,24)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320413
PNG
(2-(2,3-dihydro-1-benzofuran-5- yloxymethyl)-1H-pyr...)
Show SMILES OC(=O)c1ccnc2cc(COc3ccc4OCCc4c3)[nH]c12
Show InChI InChI=1S/C17H14N2O4/c20-17(21)13-3-5-18-14-8-11(19-16(13)14)9-23-12-1-2-15-10(7-12)4-6-22-15/h1-3,5,7-8,19H,4,6,9H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320414
PNG
(2-[(2-chlorophenyl)methyl]-1H- pyrrolo[3,2-b]pyrid...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccccc3Cl)[nH]c12
Show InChI InChI=1S/C15H11ClN2O2/c16-12-4-2-1-3-9(12)7-10-8-13-14(18-10)11(15(19)20)5-6-17-13/h1-6,8,18H,7H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320414
PNG
(2-[(2-chlorophenyl)methyl]-1H- pyrrolo[3,2-b]pyrid...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccccc3Cl)[nH]c12
Show InChI InChI=1S/C15H11ClN2O2/c16-12-4-2-1-3-9(12)7-10-8-13-14(18-10)11(15(19)20)5-6-17-13/h1-6,8,18H,7H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320414
PNG
(2-[(2-chlorophenyl)methyl]-1H- pyrrolo[3,2-b]pyrid...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccccc3Cl)[nH]c12
Show InChI InChI=1S/C15H11ClN2O2/c16-12-4-2-1-3-9(12)7-10-8-13-14(18-10)11(15(19)20)5-6-17-13/h1-6,8,18H,7H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320415
PNG
(2-[(3-fluorophenoxy)methyl]-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(COc3cccc(F)c3)[nH]c12
Show InChI InChI=1S/C15H11FN2O3/c16-9-2-1-3-11(6-9)21-8-10-7-13-14(18-10)12(15(19)20)4-5-17-13/h1-7,18H,8H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320415
PNG
(2-[(3-fluorophenoxy)methyl]-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(COc3cccc(F)c3)[nH]c12
Show InChI InChI=1S/C15H11FN2O3/c16-9-2-1-3-11(6-9)21-8-10-7-13-14(18-10)12(15(19)20)4-5-17-13/h1-7,18H,8H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320415
PNG
(2-[(3-fluorophenoxy)methyl]-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(COc3cccc(F)c3)[nH]c12
Show InChI InChI=1S/C15H11FN2O3/c16-9-2-1-3-11(6-9)21-8-10-7-13-14(18-10)12(15(19)20)4-5-17-13/h1-7,18H,8H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320416
PNG
(2-[(3-chlorophenoxy)methyl]-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(COc3cccc(Cl)c3)[nH]c12
Show InChI InChI=1S/C15H11ClN2O3/c16-9-2-1-3-11(6-9)21-8-10-7-13-14(18-10)12(15(19)20)4-5-17-13/h1-7,18H,8H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320416
PNG
(2-[(3-chlorophenoxy)methyl]-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(COc3cccc(Cl)c3)[nH]c12
Show InChI InChI=1S/C15H11ClN2O3/c16-9-2-1-3-11(6-9)21-8-10-7-13-14(18-10)12(15(19)20)4-5-17-13/h1-7,18H,8H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320417
PNG
(2-[(3,5-difluorophenoxy)methyl]- 1H-pyrrolo[3,2-b]...)
Show SMILES OC(=O)c1ccnc2cc(COc3cc(F)cc(F)c3)[nH]c12
Show InChI InChI=1S/C15H10F2N2O3/c16-8-3-9(17)5-11(4-8)22-7-10-6-13-14(19-10)12(15(20)21)1-2-18-13/h1-6,19H,7H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320417
PNG
(2-[(3,5-difluorophenoxy)methyl]- 1H-pyrrolo[3,2-b]...)
Show SMILES OC(=O)c1ccnc2cc(COc3cc(F)cc(F)c3)[nH]c12
Show InChI InChI=1S/C15H10F2N2O3/c16-8-3-9(17)5-11(4-8)22-7-10-6-13-14(19-10)12(15(20)21)1-2-18-13/h1-6,19H,7H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320417
PNG
(2-[(3,5-difluorophenoxy)methyl]- 1H-pyrrolo[3,2-b]...)
Show SMILES OC(=O)c1ccnc2cc(COc3cc(F)cc(F)c3)[nH]c12
Show InChI InChI=1S/C15H10F2N2O3/c16-8-3-9(17)5-11(4-8)22-7-10-6-13-14(19-10)12(15(20)21)1-2-18-13/h1-6,19H,7H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320418
PNG
(2-[(3,5-dimethylphenoxy)- methyl]-1H-pyrrolo[3,2-b...)
Show SMILES Cc1cc(C)cc(OCc2cc3nccc(C(O)=O)c3[nH]2)c1
Show InChI InChI=1S/C17H16N2O3/c1-10-5-11(2)7-13(6-10)22-9-12-8-15-16(19-12)14(17(20)21)3-4-18-15/h3-8,19H,9H2,1-2H3,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320418
PNG
(2-[(3,5-dimethylphenoxy)- methyl]-1H-pyrrolo[3,2-b...)
Show SMILES Cc1cc(C)cc(OCc2cc3nccc(C(O)=O)c3[nH]2)c1
Show InChI InChI=1S/C17H16N2O3/c1-10-5-11(2)7-13(6-10)22-9-12-8-15-16(19-12)14(17(20)21)3-4-18-15/h3-8,19H,9H2,1-2H3,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320419
PNG
(2-[(3,5-dichlorophenoxy)methyl]- 1H-pyrrolo[3,2-b]...)
Show SMILES OC(=O)c1ccnc2cc(COc3cc(Cl)cc(Cl)c3)[nH]c12
Show InChI InChI=1S/C15H10Cl2N2O3/c16-8-3-9(17)5-11(4-8)22-7-10-6-13-14(19-10)12(15(20)21)1-2-18-13/h1-6,19H,7H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320419
PNG
(2-[(3,5-dichlorophenoxy)methyl]- 1H-pyrrolo[3,2-b]...)
Show SMILES OC(=O)c1ccnc2cc(COc3cc(Cl)cc(Cl)c3)[nH]c12
Show InChI InChI=1S/C15H10Cl2N2O3/c16-8-3-9(17)5-11(4-8)22-7-10-6-13-14(19-10)12(15(20)21)1-2-18-13/h1-6,19H,7H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320420
PNG
(2-(1-phenoxyethyl)-1H- pyrrolo[3,2-b]pyridine-7- c...)
Show SMILES CC(Oc1ccccc1)c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C16H14N2O3/c1-10(21-11-5-3-2-4-6-11)13-9-14-15(18-13)12(16(19)20)7-8-17-14/h2-10,18H,1H3,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320420
PNG
(2-(1-phenoxyethyl)-1H- pyrrolo[3,2-b]pyridine-7- c...)
Show SMILES CC(Oc1ccccc1)c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C16H14N2O3/c1-10(21-11-5-3-2-4-6-11)13-9-14-15(18-13)12(16(19)20)7-8-17-14/h2-10,18H,1H3,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320420
PNG
(2-(1-phenoxyethyl)-1H- pyrrolo[3,2-b]pyridine-7- c...)
Show SMILES CC(Oc1ccccc1)c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C16H14N2O3/c1-10(21-11-5-3-2-4-6-11)13-9-14-15(18-13)12(16(19)20)7-8-17-14/h2-10,18H,1H3,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320421
PNG
(2-(1-phenoxybutyl)-1H- pyrrolo[3,2-b]pyridine-7- c...)
Show SMILES CCCC(Oc1ccccc1)c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C18H18N2O3/c1-2-6-16(23-12-7-4-3-5-8-12)14-11-15-17(20-14)13(18(21)22)9-10-19-15/h3-5,7-11,16,20H,2,6H2,1H3,(H,21,22)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320421
PNG
(2-(1-phenoxybutyl)-1H- pyrrolo[3,2-b]pyridine-7- c...)
Show SMILES CCCC(Oc1ccccc1)c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C18H18N2O3/c1-2-6-16(23-12-7-4-3-5-8-12)14-11-15-17(20-14)13(18(21)22)9-10-19-15/h3-5,7-11,16,20H,2,6H2,1H3,(H,21,22)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320423
PNG
(2-[(2-chlorophenyl)-propoxy- methyl]-1H-pyrrolo[3,...)
Show SMILES CCCOC(c1cc2nccc(C(O)=O)c2[nH]1)c1ccccc1Cl
Show InChI InChI=1S/C18H17ClN2O3/c1-2-9-24-17(11-5-3-4-6-13(11)19)15-10-14-16(21-15)12(18(22)23)7-8-20-14/h3-8,10,17,21H,2,9H2,1H3,(H,22,23)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320423
PNG
(2-[(2-chlorophenyl)-propoxy- methyl]-1H-pyrrolo[3,...)
Show SMILES CCCOC(c1cc2nccc(C(O)=O)c2[nH]1)c1ccccc1Cl
Show InChI InChI=1S/C18H17ClN2O3/c1-2-9-24-17(11-5-3-4-6-13(11)19)15-10-14-16(21-15)12(18(22)23)7-8-20-14/h3-8,10,17,21H,2,9H2,1H3,(H,22,23)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320424
PNG
(2-[(2,4-dichlorophenyl)methyl]- 1H-pyrrolo[3,2-b]p...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)cc3Cl)[nH]c12
Show InChI InChI=1S/C15H10Cl2N2O2/c16-9-2-1-8(12(17)6-9)5-10-7-13-14(19-10)11(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320424
PNG
(2-[(2,4-dichlorophenyl)methyl]- 1H-pyrrolo[3,2-b]p...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)cc3Cl)[nH]c12
Show InChI InChI=1S/C15H10Cl2N2O2/c16-9-2-1-8(12(17)6-9)5-10-7-13-14(19-10)11(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320426
PNG
(2-[(4-methoxyphenoxy)methyl]- 1H-pyrrolo[3,2-b]pyr...)
Show SMILES COc1ccc(OCc2cc3nccc(C(O)=O)c3[nH]2)cc1
Show InChI InChI=1S/C16H14N2O4/c1-21-11-2-4-12(5-3-11)22-9-10-8-14-15(18-10)13(16(19)20)6-7-17-14/h2-8,18H,9H2,1H3,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320429
PNG
(2-[(2-chloro-4-fluoro- phenoxy)methyl]-1H-pyrrolo-...)
Show SMILES OC(=O)c1ccnc2cc(COc3ccc(F)cc3Cl)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O3/c16-11-5-8(17)1-2-13(11)22-7-9-6-12-14(19-9)10(15(20)21)3-4-18-12/h1-6,19H,7H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320429
PNG
(2-[(2-chloro-4-fluoro- phenoxy)methyl]-1H-pyrrolo-...)
Show SMILES OC(=O)c1ccnc2cc(COc3ccc(F)cc3Cl)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O3/c16-11-5-8(17)1-2-13(11)22-7-9-6-12-14(19-9)10(15(20)21)3-4-18-12/h1-6,19H,7H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320431
PNG
(2-[(4-cyanophenoxy)methyl]-1H- pyrrolo[3,2-b]pyrid...)
Show SMILES OC(=O)c1ccnc2cc(COc3ccc(cc3)C#N)[nH]c12
Show InChI InChI=1S/C16H11N3O3/c17-8-10-1-3-12(4-2-10)22-9-11-7-14-15(19-11)13(16(20)21)5-6-18-14/h1-7,19H,9H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320432
PNG
(2-(pyrrolidin-1-ylcarbonyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(=O)N1CCCC1
Show InChI InChI=1S/C13H13N3O3/c17-12(16-5-1-2-6-16)10-7-9-11(15-10)8(13(18)19)3-4-14-9/h3-4,7,15H,1-2,5-6H2,(H,18,19)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320432
PNG
(2-(pyrrolidin-1-ylcarbonyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(=O)N1CCCC1
Show InChI InChI=1S/C13H13N3O3/c17-12(16-5-1-2-6-16)10-7-9-11(15-10)8(13(18)19)3-4-14-9/h3-4,7,15H,1-2,5-6H2,(H,18,19)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320432
PNG
(2-(pyrrolidin-1-ylcarbonyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(=O)N1CCCC1
Show InChI InChI=1S/C13H13N3O3/c17-12(16-5-1-2-6-16)10-7-9-11(15-10)8(13(18)19)3-4-14-9/h3-4,7,15H,1-2,5-6H2,(H,18,19)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM320432
PNG
(2-(pyrrolidin-1-ylcarbonyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(=O)N1CCCC1
Show InChI InChI=1S/C13H13N3O3/c17-12(16-5-1-2-6-16)10-7-9-11(15-10)8(13(18)19)3-4-14-9/h3-4,7,15H,1-2,5-6H2,(H,18,19)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


US Patent US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320433
PNG
(2-[(4-fluorophenyl)methyl]- pyrrolo[3,2-b]pyridine...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(F)cc3)[nH]c12
Show InChI InChI=1S/C15H11FN2O2/c16-10-3-1-9(2-4-10)7-11-8-13-14(18-11)12(15(19)20)5-6-17-13/h1-6,8,18H,7H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320433
PNG
(2-[(4-fluorophenyl)methyl]- pyrrolo[3,2-b]pyridine...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(F)cc3)[nH]c12
Show InChI InChI=1S/C15H11FN2O2/c16-10-3-1-9(2-4-10)7-11-8-13-14(18-11)12(15(19)20)5-6-17-13/h1-6,8,18H,7H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320433
PNG
(2-[(4-fluorophenyl)methyl]- pyrrolo[3,2-b]pyridine...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(F)cc3)[nH]c12
Show InChI InChI=1S/C15H11FN2O2/c16-10-3-1-9(2-4-10)7-11-8-13-14(18-11)12(15(19)20)5-6-17-13/h1-6,8,18H,7H2,(H,19,20)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320434
PNG
(2-[1-(4-fluorophenyl)-1- hydroxyethyl]-1H-pyrrolo[...)
Show SMILES CC(O)(c1cc2nccc(C(O)=O)c2[nH]1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN2O3/c1-16(22,9-2-4-10(17)5-3-9)13-8-12-14(19-13)11(15(20)21)6-7-18-12/h2-8,19,22H,1H3,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320434
PNG
(2-[1-(4-fluorophenyl)-1- hydroxyethyl]-1H-pyrrolo[...)
Show SMILES CC(O)(c1cc2nccc(C(O)=O)c2[nH]1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN2O3/c1-16(22,9-2-4-10(17)5-3-9)13-8-12-14(19-13)11(15(20)21)6-7-18-12/h2-8,19,22H,1H3,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320434
PNG
(2-[1-(4-fluorophenyl)-1- hydroxyethyl]-1H-pyrrolo[...)
Show SMILES CC(O)(c1cc2nccc(C(O)=O)c2[nH]1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN2O3/c1-16(22,9-2-4-10(17)5-3-9)13-8-12-14(19-13)11(15(20)21)6-7-18-12/h2-8,19,22H,1H3,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320436
PNG
(2- (indolinylcarbonyl)pyrrolo[3,2-b]- pyridine-7-c...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C17H13N3O3/c21-16(20-8-6-10-3-1-2-4-14(10)20)13-9-12-15(19-13)11(17(22)23)5-7-18-12/h1-5,7,9,19H,6,8H2,(H,22,23)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320436
PNG
(2- (indolinylcarbonyl)pyrrolo[3,2-b]- pyridine-7-c...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C17H13N3O3/c21-16(20-8-6-10-3-1-2-4-14(10)20)13-9-12-15(19-13)11(17(22)23)5-7-18-12/h1-5,7,9,19H,6,8H2,(H,22,23)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320439
PNG
(2-(3-chloro-4-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(F)c(Cl)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-6-8(1-2-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320439
PNG
(2-(3-chloro-4-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(F)c(Cl)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-6-8(1-2-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320439
PNG
(2-(3-chloro-4-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(F)c(Cl)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-6-8(1-2-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320440
PNG
(2-(4-chloro-3-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-2-1-8(6-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320440
PNG
(2-(4-chloro-3-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-2-1-8(6-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
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Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320440
PNG
(2-(4-chloro-3-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-2-1-8(6-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320441
PNG
(2-[(3-phenylpyrrolidinyl)- carbonyl]pyrrolo[3,2-b]...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(=O)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C19H17N3O3/c23-18(22-9-7-13(11-22)12-4-2-1-3-5-12)16-10-15-17(21-16)14(19(24)25)6-8-20-15/h1-6,8,10,13,21H,7,9,11H2,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320441
PNG
(2-[(3-phenylpyrrolidinyl)- carbonyl]pyrrolo[3,2-b]...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C(=O)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C19H17N3O3/c23-18(22-9-7-13(11-22)12-4-2-1-3-5-12)16-10-15-17(21-16)14(19(24)25)6-8-20-15/h1-6,8,10,13,21H,7,9,11H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Celgene Quantical 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 US9738637 (2017)

More data for this
Ligand-Target Pair
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