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Patent code US9714230

Compile Data Set for Download or QSAR

Found 511 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM263991
PNG
(2-{5-[(4-ethylbenzyl)oxy]- 1H-pyrazol-1-yl}pyridin...)
Show SMILES CCc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1
Show InChI InChI=1S/C18H17N3O3/c1-2-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(18(22)23)7-9-19-16/h3-11H,2,12H2,1H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM263996
PNG
(2-[5-(pyridin-4-ylmethoxy)-1H- pyrazol-1-yl]pyridi...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccncc1
Show InChI InChI=1S/C15H12N4O3/c20-15(21)12-3-7-17-13(9-12)19-14(4-8-18-19)22-10-11-1-5-16-6-2-11/h1-9H,10H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM264003
PNG
(2-{5-[(4-cyclopropylbenzyl)oxy]- 1H-pyrazol-1-yl}p...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(cc1)C1CC1
Show InChI InChI=1S/C19H17N3O3/c23-19(24)16-7-9-20-17(11-16)22-18(8-10-21-22)25-12-13-1-3-14(4-2-13)15-5-6-15/h1-4,7-11,15H,5-6,12H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM264006
PNG
(2-[5-[(4-fluorophenyl)methoxy]-4- methylpyrazol-1-...)
Show SMILES Cc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14FN3O3/c1-11-9-20-21(15-8-13(17(22)23)6-7-19-15)16(11)24-10-12-2-4-14(18)5-3-12/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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM264007
PNG
(2-[4-ethyl-5-[(4- fluorophenyl)methoxy]pyrazol-1- ...)
Show SMILES CCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16FN3O3/c1-2-13-10-21-22(16-9-14(18(23)24)7-8-20-16)17(13)25-11-12-3-5-15(19)6-4-12/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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM264016
PNG
(2-[5-[(2,3-difluoro-4- methylphenyl)methoxy]pyrazo...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(F)c1F
Show InChI InChI=1S/C17H13F2N3O3/c1-10-2-3-12(16(19)15(10)18)9-25-14-5-7-21-22(14)13-8-11(17(23)24)4-6-20-13/h2-8H,9H2,1H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (KDM4C)


(Homo sapiens (Human))
BDBM264016
PNG
(2-[5-[(2,3-difluoro-4- methylphenyl)methoxy]pyrazo...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)c(F)c1F
Show InChI InChI=1S/C17H13F2N3O3/c1-10-2-3-12(16(19)15(10)18)9-25-14-5-7-21-22(14)13-8-11(17(23)24)4-6-20-13/h2-8H,9H2,1H3,(H,23,24)
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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 ...


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Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM264017
PNG
(2-[5-[(3-chloro-4- ethylphenyl)methoxy]pyrazol-1- ...)
Show SMILES CCc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1Cl
Show InChI InChI=1S/C18H16ClN3O3/c1-2-13-4-3-12(9-15(13)19)11-25-17-6-8-21-22(17)16-10-14(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM264018
PNG
(2-[5-[(4-ethyl-3- fluorophenyl)methoxy]pyrazol-1- ...)
Show SMILES CCc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1F
Show InChI InChI=1S/C18H16FN3O3/c1-2-13-4-3-12(9-15(13)19)11-25-17-6-8-21-22(17)16-10-14(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50158755
PNG
(CHEMBL3786579 | US9714230, 109)
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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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.

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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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264082
PNG
(5-[(2-chlorophenyl)methyl]-2-[4- (1H-tetrazol-5-yl...)
Show SMILES Oc1cc(Cc2ccccc2Cl)nn1-c1cc(ccn1)-c1nn[nH]n1
Show InChI InChI=1S/C16H12ClN7O/c17-13-4-2-1-3-10(13)7-12-9-15(25)24(21-12)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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263932
PNG
(2-(3-cyclopropyl-5-hydroxy-1H- pyrazol-1-yl)isonic...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)C1CC1
Show InChI InChI=1S/C12H11N3O3/c16-11-6-9(7-1-2-7)14-15(11)10-5-8(12(17)18)3-4-13-10/h3-7,16H,1-2H2,(H,17,18)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263935
PNG
(2-(3-(2-fluorophenyl)-5-hydroxy- 1H-pyrazol-1-yl)i...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)-c1ccccc1F
Show InChI InChI=1S/C15H10FN3O3/c16-11-4-2-1-3-10(11)12-8-14(20)19(18-12)13-7-9(15(21)22)5-6-17-13/h1-8,20H,(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 FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263938
PNG
(2-(3-benzyl-5-hydroxy-1H- pyrazol-1-yl)isonicotini...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(Cc2ccccc2)cc1O
Show InChI InChI=1S/C16H13N3O3/c20-15-10-13(8-11-4-2-1-3-5-11)18-19(15)14-9-12(16(21)22)6-7-17-14/h1-7,9-10,20H,8H2,(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 FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263939
PNG
(2-(5-hydroxy-3-(methoxymethyl)- 1H-pyrazol-1-yl)is...)
Show SMILES COCc1cc(O)n(n1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C11H11N3O4/c1-18-6-8-5-10(15)14(13-8)9-4-7(11(16)17)2-3-12-9/h2-5,15H,6H2,1H3,(H,16,17)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM263974
PNG
(2-(5-(benzyloxy)-1H-pyrazol-1- yl)isonicotinic aci...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccccc1
Show InChI InChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(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...


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


(Homo sapiens (Human))
BDBM263974
PNG
(2-(5-(benzyloxy)-1H-pyrazol-1- yl)isonicotinic aci...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccccc1
Show InChI InChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(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 JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM263975
PNG
(2-{5-[(4-fluorobenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(F)cc1
Show InChI InChI=1S/C16H12FN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM263986
PNG
(2-{5-[(1-methyl-1H-indazol-6- yl)methoxy]-1H-pyraz...)
Show SMILES Cn1cc2ccc(COc3ccnn3-c3cc(ccn3)C(O)=O)cc2n1
Show InChI InChI=1S/C18H15N5O3/c1-22-10-14-3-2-12(8-15(14)21-22)11-26-17-5-7-20-23(17)16-9-13(18(24)25)4-6-19-16/h2-10H,11H2,1H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50158703
PNG
(CHEMBL3785832 | US9714230, 53)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM263990
PNG
(2-{5-[(4-methylbenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1
Show InChI InChI=1S/C17H15N3O3/c1-12-2-4-13(5-3-12)11-23-16-7-9-19-20(16)15-10-14(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM263995
PNG
(2-[5-(pyridin-3-ylmethoxy)-1H- pyrazol-1-yl]pyridi...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1cccnc1
Show InChI InChI=1S/C15H12N4O3/c20-15(21)12-3-6-17-13(8-12)19-14(4-7-18-19)22-10-11-2-1-5-16-9-11/h1-9H,10H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM263999
PNG
(2-{5-[(3-hydroxybenzyl)oxy]-1H- pyrazol-1-yl}pyrid...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1cccc(O)c1
Show InChI InChI=1S/C16H13N3O4/c20-13-3-1-2-11(8-13)10-23-15-5-7-18-19(15)14-9-12(16(21)22)4-6-17-14/h1-9,20H,10H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM264000
PNG
(2-{5-[(4-chloro-3- fluorobenzyl)oxy]-1H-pyrazol-1-...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H11ClFN3O3/c17-12-2-1-10(7-13(12)18)9-24-15-4-6-20-21(15)14-8-11(16(22)23)3-5-19-14/h1-8H,9H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (KDM4C)


(Homo sapiens (Human))
BDBM264005
PNG
(2-[5-[(3,3- difluorocyclobutyl)methoxy] pyrazol-1-...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCC1CC(F)(F)C1
Show InChI InChI=1S/C14H13F2N3O3/c15-14(16)6-9(7-14)8-22-12-2-4-18-19(12)11-5-10(13(20)21)1-3-17-11/h1-5,9H,6-8H2,(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 ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM264008
PNG
(2-[5-[(2,4- difluorophenyl)methoxy]pyrazol- 1-yl]p...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(F)cc1F
Show InChI InChI=1S/C16H11F2N3O3/c17-12-2-1-11(13(18)8-12)9-24-15-4-6-20-21(15)14-7-10(16(22)23)3-5-19-14/h1-8H,9H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM264010
PNG
(2-[5-[(2,4- dichlorophenyl)methoxy]pyrazol- 1-yl]p...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H11Cl2N3O3/c17-12-2-1-11(13(18)8-12)9-24-15-4-6-20-21(15)14-7-10(16(22)23)3-5-19-14/h1-8H,9H2,(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM264012
PNG
(2-[5-[(4-chloro-2- methoxyphenyl)methoxy]pyrazol- ...)
Show SMILES COc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O4/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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM264014
PNG
(2-[5-[(3-chloro-4- methylphenyl)methoxy]pyrazol-1-...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1Cl
Show InChI InChI=1S/C17H14ClN3O3/c1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (KDM4C)


(Homo sapiens (Human))
BDBM264014
PNG
(2-[5-[(3-chloro-4- methylphenyl)methoxy]pyrazol-1-...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1Cl
Show InChI InChI=1S/C17H14ClN3O3/c1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(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 JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM264021
PNG
(2-[5-[(4-chloro-2- phenylmethoxyphenyl)methoxy] py...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCc1ccccc1
Show InChI InChI=1S/C23H18ClN3O4/c24-19-7-6-18(20(13-19)30-14-16-4-2-1-3-5-16)15-31-22-9-11-26-27(22)21-12-17(23(28)29)8-10-25-21/h1-13H,14-15H2,(H,28,29)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(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.

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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...


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More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(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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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...


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More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264075
PNG
(2-(3-cyclopentyl-5- hydroxypyrazol-1-yl)pyridine-4...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)C1CCCC1
Show InChI InChI=1S/C14H15N3O3/c18-13-8-11(9-3-1-2-4-9)16-17(13)12-7-10(14(19)20)5-6-15-12/h5-9,18H,1-4H2,(H,19,20)
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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 ...


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Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264076
PNG
(2-[3-[(2,6-difluorophenyl)methyl]- 5-hydroxypyrazo...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(Cc2c(F)cccc2F)cc1O
Show InChI InChI=1S/C16H11F2N3O3/c17-12-2-1-3-13(18)11(12)7-10-8-15(22)21(20-10)14-6-9(16(23)24)4-5-19-14/h1-6,8,22H,7H2,(H,23,24)
PDB

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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 FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM263932
PNG
(2-(3-cyclopropyl-5-hydroxy-1H- pyrazol-1-yl)isonic...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)C1CC1
Show InChI InChI=1S/C12H11N3O3/c16-11-6-9(7-1-2-7)14-15(11)10-5-8(12(17)18)3-4-13-10/h3-7,16H,1-2H2,(H,17,18)
PDB
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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...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM263953
PNG
(2-(5-(3-hydroxy-4-methylphenyl)- 1H-pyrazol-1-yl)i...)
Show SMILES Cc1ccc(cc1O)-c1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C16H13N3O3/c1-10-2-3-11(8-14(10)20)13-5-7-18-19(13)15-9-12(16(21)22)4-6-17-15/h2-9,20H,1H3,(H,21,22)
PDB
MMDB

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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...


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