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Compile Data Set for Download or QSAR

Found 511 hits from Celgene Quantical Research, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Homo sapiens lysine demethylase 2B (KDM2B)


(Homo sapiens (human))
BDBM264083
PNG
(5-[(3-chlorophenyl)methyl]-2-[4- (1H-tetrazol-5-yl...)
Show SMILES Oc1cc(Cc2cccc(Cl)c2)nn1-c1cc(ccn1)-c1nn[nH]n1
Show InChI InChI=1S/C16H12ClN7O/c17-12-3-1-2-10(6-12)7-13-9-15(25)24(21-13)14-8-11(4-5-18-14)16-19-22-23-20-16/h1-6,8-9,25H,7H2,(H,19,20,22,23)
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n/an/a<100n/an/an/an/an/a25



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2B (KDM2B)


(Homo sapiens (human))
BDBM264084
PNG
(5-[(4-chlorophenyl)methyl]-2-[4- (1H-tetrazol-5-yl...)
Show SMILES Oc1cc(Cc2ccc(Cl)cc2)nn1-c1cc(ccn1)-c1nn[nH]n1
Show InChI InChI=1S/C16H12ClN7O/c17-12-3-1-10(2-4-12)7-13-9-15(25)24(21-13)14-8-11(5-6-18-14)16-19-22-23-20-16/h1-6,8-9,25H,7H2,(H,19,20,22,23)
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n/an/a<100n/an/an/an/an/a25



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264022
PNG
(2-[5-[[4-chloro-2- (cyclopropylmethoxy(phenyl] met...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCC1CC1
Show InChI InChI=1S/C20H18ClN3O4/c21-16-4-3-15(17(10-16)27-11-13-1-2-13)12-28-19-6-8-23-24(19)18-9-14(20(25)26)5-7-22-18/h3-10,13H,1-2,11-12H2,(H,25,26)
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n/an/a<100n/an/an/an/an/a25



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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264022
PNG
(2-[5-[[4-chloro-2- (cyclopropylmethoxy(phenyl] met...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCC1CC1
Show InChI InChI=1S/C20H18ClN3O4/c21-16-4-3-15(17(10-16)27-11-13-1-2-13)12-28-19-6-8-23-24(19)18-9-14(20(25)26)5-7-22-18/h3-10,13H,1-2,11-12H2,(H,25,26)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264023
PNG
(2-[5-[[4-chloro-2-(2,2,2- trifluoroethoxy)phenyl]m...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCC(F)(F)F
Show InChI InChI=1S/C18H13ClF3N3O4/c19-13-2-1-12(14(8-13)29-10-18(20,21)22)9-28-16-4-6-24-25(16)15-7-11(17(26)27)3-5-23-15/h1-8H,9-10H2,(H,26,27)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264023
PNG
(2-[5-[[4-chloro-2-(2,2,2- trifluoroethoxy)phenyl]m...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCC(F)(F)F
Show InChI InChI=1S/C18H13ClF3N3O4/c19-13-2-1-12(14(8-13)29-10-18(20,21)22)9-28-16-4-6-24-25(16)15-7-11(17(26)27)3-5-23-15/h1-8H,9-10H2,(H,26,27)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM50158755
PNG
(CHEMBL3786579 | US10173996, Example 109 | US960496...)
Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM50158755
PNG
(CHEMBL3786579 | US10173996, Example 109 | US960496...)
Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264025
PNG
(2-(4-[2-(dimethylamino)ethyl]- 5-[(4- fluorophenyl...)
Show SMILES CN(C)CCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C20H21FN4O3/c1-24(2)10-8-16-12-23-25(18-11-15(20(26)27)7-9-22-18)19(16)28-13-14-3-5-17(21)6-4-14/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,26,27)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264025
PNG
(2-(4-[2-(dimethylamino)ethyl]- 5-[(4- fluorophenyl...)
Show SMILES CN(C)CCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C20H21FN4O3/c1-24(2)10-8-16-12-23-25(18-11-15(20(26)27)7-9-22-18)19(16)28-13-14-3-5-17(21)6-4-14/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,26,27)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264030
PNG
(2-[5-[(4-chloro-2- ethoxyphenyl)methoxy]pyrazol-1-...)
Show SMILES CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16ClN3O4/c1-2-25-15-10-14(19)4-3-13(15)11-26-17-6-8-21-22(17)16-9-12(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264030
PNG
(2-[5-[(4-chloro-2- ethoxyphenyl)methoxy]pyrazol-1-...)
Show SMILES CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16ClN3O4/c1-2-25-15-10-14(19)4-3-13(15)11-26-17-6-8-21-22(17)16-9-12(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(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 Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264031
PNG
(2-[5-[[4-chloro-2-(2- methoxyethoxy)phenyl]methoxy...)
Show SMILES COCCOc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C19H18ClN3O5/c1-26-8-9-27-16-11-15(20)3-2-14(16)12-28-18-5-7-22-23(18)17-10-13(19(24)25)4-6-21-17/h2-7,10-11H,8-9,12H2,1H3,(H,24,25)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264031
PNG
(2-[5-[[4-chloro-2-(2- methoxyethoxy)phenyl]methoxy...)
Show SMILES COCCOc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C19H18ClN3O5/c1-26-8-9-27-16-11-15(20)3-2-14(16)12-28-18-5-7-22-23(18)17-10-13(19(24)25)4-6-21-17/h2-7,10-11H,8-9,12H2,1H3,(H,24,25)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264033
PNG
(2-[5-[[4-fluoro-2-[(4- fluorophenyl)methoxy]phenyl...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(F)cc1OCc1ccc(F)cc1
Show InChI InChI=1S/C23H17F2N3O4/c24-18-4-1-15(2-5-18)13-31-20-12-19(25)6-3-17(20)14-32-22-8-10-27-28(22)21-11-16(23(29)30)7-9-26-21/h1-12H,13-14H2,(H,29,30)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264033
PNG
(2-[5-[[4-fluoro-2-[(4- fluorophenyl)methoxy]phenyl...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(F)cc1OCc1ccc(F)cc1
Show InChI InChI=1S/C23H17F2N3O4/c24-18-4-1-15(2-5-18)13-31-20-12-19(25)6-3-17(20)14-32-22-8-10-27-28(22)21-11-16(23(29)30)7-9-26-21/h1-12H,13-14H2,(H,29,30)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264038
PNG
(2-[5-(2,3-dihydro-1-benzofuran-7- ylmethoxy)pyrazo...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1cccc2CCOc12
Show InChI InChI=1S/C18H15N3O4/c22-18(23)13-4-7-19-15(10-13)21-16(5-8-20-21)25-11-14-3-1-2-12-6-9-24-17(12)14/h1-5,7-8,10H,6,9,11H2,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264038
PNG
(2-[5-(2,3-dihydro-1-benzofuran-7- ylmethoxy)pyrazo...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1cccc2CCOc12
Show InChI InChI=1S/C18H15N3O4/c22-18(23)13-4-7-19-15(10-13)21-16(5-8-20-21)25-11-14-3-1-2-12-6-9-24-17(12)14/h1-5,7-8,10H,6,9,11H2,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264039
PNG
(2-[5-[(2,2-dimethyl-3H-1- benzofuran-7-yl)methoxy]...)
Show SMILES CC1(C)Cc2cccc(COc3ccnn3-c3cc(ccn3)C(O)=O)c2O1
Show InChI InChI=1S/C20H19N3O4/c1-20(2)11-14-4-3-5-15(18(14)27-20)12-26-17-7-9-22-23(17)16-10-13(19(24)25)6-8-21-16/h3-10H,11-12H2,1-2H3,(H,24,25)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264040
PNG
(2-[5-[(4-cyano-2- methylphenyl)methoxy]pyrazol-1- ...)
Show SMILES Cc1cc(ccc1COc1ccnn1-c1cc(ccn1)C(O)=O)C#N
Show InChI InChI=1S/C18H14N4O3/c1-12-8-13(10-19)2-3-15(12)11-25-17-5-7-21-22(17)16-9-14(18(23)24)4-6-20-16/h2-9H,11H2,1H3,(H,23,24)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264040
PNG
(2-[5-[(4-cyano-2- methylphenyl)methoxy]pyrazol-1- ...)
Show SMILES Cc1cc(ccc1COc1ccnn1-c1cc(ccn1)C(O)=O)C#N
Show InChI InChI=1S/C18H14N4O3/c1-12-8-13(10-19)2-3-15(12)11-25-17-5-7-21-22(17)16-9-14(18(23)24)4-6-20-16/h2-9H,11H2,1H3,(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 Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264041
PNG
(2-[5-[(4-cyano-2- ethylphenyl)methoxy]pyrazol-1- y...)
Show SMILES CCc1cc(ccc1COc1ccnn1-c1cc(ccn1)C(O)=O)C#N
Show InChI InChI=1S/C19H16N4O3/c1-2-14-9-13(11-20)3-4-16(14)12-26-18-6-8-22-23(18)17-10-15(19(24)25)5-7-21-17/h3-10H,2,12H2,1H3,(H,24,25)
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n/an/a<100n/an/an/an/an/a25



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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264041
PNG
(2-[5-[(4-cyano-2- ethylphenyl)methoxy]pyrazol-1- y...)
Show SMILES CCc1cc(ccc1COc1ccnn1-c1cc(ccn1)C(O)=O)C#N
Show InChI InChI=1S/C19H16N4O3/c1-2-14-9-13(11-20)3-4-16(14)12-26-18-6-8-22-23(18)17-10-15(19(24)25)5-7-21-17/h3-10H,2,12H2,1H3,(H,24,25)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264043
PNG
(2-[5-[(4-fluoro-2- methylphenyl)methoxy]pyrazol-1-...)
Show SMILES Cc1cc(F)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14FN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264043
PNG
(2-[5-[(4-fluoro-2- methylphenyl)methoxy]pyrazol-1-...)
Show SMILES Cc1cc(F)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14FN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264044
PNG
(2-[5-[(2-ethyl-4- fluorophenyl)methoxy]pyrazol-1- ...)
Show SMILES CCc1cc(F)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16FN3O3/c1-2-12-9-15(19)4-3-14(12)11-25-17-6-8-21-22(17)16-10-13(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264044
PNG
(2-[5-[(2-ethyl-4- fluorophenyl)methoxy]pyrazol-1- ...)
Show SMILES CCc1cc(F)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16FN3O3/c1-2-12-9-15(19)4-3-14(12)11-25-17-6-8-21-22(17)16-10-13(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(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 Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264046
PNG
(2-[5-[(2-fluoro-4- methylphenyl)methoxy]pyrazol-1-...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(F)c1
Show InChI InChI=1S/C17H14FN3O3/c1-11-2-3-13(14(18)8-11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264046
PNG
(2-[5-[(2-fluoro-4- methylphenyl)methoxy]pyrazol-1-...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(F)c1
Show InChI InChI=1S/C17H14FN3O3/c1-11-2-3-13(14(18)8-11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264047
PNG
(2-[5-[(2,4- dimethylphenyl)methoxy]pyrazol- 1-yl]p...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(C)c1
Show InChI InChI=1S/C18H17N3O3/c1-12-3-4-15(13(2)9-12)11-24-17-6-8-20-21(17)16-10-14(18(22)23)5-7-19-16/h3-10H,11H2,1-2H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264047
PNG
(2-[5-[(2,4- dimethylphenyl)methoxy]pyrazol- 1-yl]p...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(C)c1
Show InChI InChI=1S/C18H17N3O3/c1-12-3-4-15(13(2)9-12)11-24-17-6-8-20-21(17)16-10-14(18(22)23)5-7-19-16/h3-10H,11H2,1-2H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264048
PNG
(2-[5-[(2-methoxy-4- methylphenyl)methoxy]pyrazol-1...)
Show SMILES COc1cc(C)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H17N3O4/c1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16/h3-10H,11H2,1-2H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264048
PNG
(2-[5-[(2-methoxy-4- methylphenyl)methoxy]pyrazol-1...)
Show SMILES COc1cc(C)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H17N3O4/c1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16/h3-10H,11H2,1-2H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264049
PNG
(2-[5-[(2-cyano-4- methylphenyl)methoxy]pyrazol-1- ...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(c1)C#N
Show InChI InChI=1S/C18H14N4O3/c1-12-2-3-14(15(8-12)10-19)11-25-17-5-7-21-22(17)16-9-13(18(23)24)4-6-20-16/h2-9H,11H2,1H3,(H,23,24)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264049
PNG
(2-[5-[(2-cyano-4- methylphenyl)methoxy]pyrazol-1- ...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(c1)C#N
Show InChI InChI=1S/C18H14N4O3/c1-12-2-3-14(15(8-12)10-19)11-25-17-5-7-21-22(17)16-9-13(18(23)24)4-6-20-16/h2-9H,11H2,1H3,(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 Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264053
PNG
(2-[5-[[4-chloro-3-[(4- fluorophenyl)methoxy]phenyl...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)c(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C23H17ClFN3O4/c24-19-6-3-16(11-20(19)31-13-15-1-4-18(25)5-2-15)14-32-22-8-10-27-28(22)21-12-17(23(29)30)7-9-26-21/h1-12H,13-14H2,(H,29,30)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264053
PNG
(2-[5-[[4-chloro-3-[(4- fluorophenyl)methoxy]phenyl...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)c(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C23H17ClFN3O4/c24-19-6-3-16(11-20(19)31-13-15-1-4-18(25)5-2-15)14-32-22-8-10-27-28(22)21-12-17(23(29)30)7-9-26-21/h1-12H,13-14H2,(H,29,30)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264054
PNG
(2-[5-[[4-fluoro-3-[(4- fluorophenyl)methoxy]phenyl...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(F)c(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C23H17F2N3O4/c24-18-4-1-15(2-5-18)13-31-20-11-16(3-6-19(20)25)14-32-22-8-10-27-28(22)21-12-17(23(29)30)7-9-26-21/h1-12H,13-14H2,(H,29,30)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264054
PNG
(2-[5-[[4-fluoro-3-[(4- fluorophenyl)methoxy]phenyl...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(F)c(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C23H17F2N3O4/c24-18-4-1-15(2-5-18)13-31-20-11-16(3-6-19(20)25)14-32-22-8-10-27-28(22)21-12-17(23(29)30)7-9-26-21/h1-12H,13-14H2,(H,29,30)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264056
PNG
(2-[5-[[4-chloro-3-(2,2,2- trifluoroethoxy)phenyl]m...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C18H13ClF3N3O4/c19-13-2-1-11(7-14(13)29-10-18(20,21)22)9-28-16-4-6-24-25(16)15-8-12(17(26)27)3-5-23-15/h1-8H,9-10H2,(H,26,27)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264056
PNG
(2-[5-[[4-chloro-3-(2,2,2- trifluoroethoxy)phenyl]m...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C18H13ClF3N3O4/c19-13-2-1-11(7-14(13)29-10-18(20,21)22)9-28-16-4-6-24-25(16)15-8-12(17(26)27)3-5-23-15/h1-8H,9-10H2,(H,26,27)
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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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264058
PNG
(2-[5-[(4-bromo-2- methoxyphenyl)methoxy]pyrazol- 1...)
Show SMILES COc1cc(Br)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14BrN3O4/c1-24-14-9-13(18)3-2-12(14)10-25-16-5-7-20-21(16)15-8-11(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264058
PNG
(2-[5-[(4-bromo-2- methoxyphenyl)methoxy]pyrazol- 1...)
Show SMILES COc1cc(Br)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14BrN3O4/c1-24-14-9-13(18)3-2-12(14)10-25-16-5-7-20-21(16)15-8-11(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264059
PNG
(2-[5-[(4-iodo-2- methylphenyl)methoxy]pyrazol- 1-y...)
Show SMILES Cc1cc(I)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14IN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264059
PNG
(2-[5-[(4-iodo-2- methylphenyl)methoxy]pyrazol- 1-y...)
Show SMILES Cc1cc(I)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14IN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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n/an/a<100n/an/an/an/an/a25



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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264060
PNG
(2-[5-[(4-iodo-2- methoxyphenyl)methoxy]pyrazol- 1-...)
Show SMILES COc1cc(I)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14IN3O4/c1-24-14-9-13(18)3-2-12(14)10-25-16-5-7-20-21(16)15-8-11(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
PDB
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US Patent
n/an/a<100n/an/an/an/an/a25



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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264060
PNG
(2-[5-[(4-iodo-2- methoxyphenyl)methoxy]pyrazol- 1-...)
Show SMILES COc1cc(I)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14IN3O4/c1-24-14-9-13(18)3-2-12(14)10-25-16-5-7-20-21(16)15-8-11(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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UniChem
US Patent
n/an/a<100n/an/an/an/an/a25



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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264064
PNG
(2-[5-[(6-chloro-1,2,3,4- tetrahydronaphthalen-1- y...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OC1CCCc2cc(Cl)ccc12
Show InChI InChI=1S/C19H16ClN3O3/c20-14-4-5-15-12(10-14)2-1-3-16(15)26-18-7-9-22-23(18)17-11-13(19(24)25)6-8-21-17/h4-11,16H,1-3H2,(H,24,25)
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UniChem
US Patent
n/an/a<100n/an/an/an/an/a25



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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264066
PNG
(2-[5-[(4-ethyl-2- fluorophenyl)methoxy]pyrazol-1- ...)
Show SMILES CCc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(F)c1
Show InChI InChI=1S/C18H16FN3O3/c1-2-12-3-4-14(15(19)9-12)11-25-17-6-8-21-22(17)16-10-13(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24)
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UniChem
US Patent
n/an/a<100n/an/an/an/an/a25



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 US9714230 (2017)

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


(Homo sapiens (Human))
BDBM264070
PNG
(2-[5-[(4-cyclopropyl-3- fluorophenyl)methoxy]pyraz...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(C2CC2)c(F)c1
Show InChI InChI=1S/C19H16FN3O3/c20-16-9-12(1-4-15(16)13-2-3-13)11-26-18-6-8-22-23(18)17-10-14(19(24)25)5-7-21-17/h1,4-10,13H,2-3,11H2,(H,24,25)
PDB

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UniChem
US Patent
n/an/a<100n/an/an/an/an/a25



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 US9714230 (2017)

More data for this
Ligand-Target Pair
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