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Compile Data Set for Download or QSAR

Found 5508 hits with Last Name = 'veal' and Initial = 'jm'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029954
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1CNC2=O
Show InChI InChI=1S/C18H24N2O3/c1-22-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-20-15(14)11-19-18(20)21/h6-7,10,13-15H,2-5,8-9,11H2,1H3,(H,19,21)/t14-,15-/m1/s1
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27n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


Article DOI: 10.1021/jm00024a012
BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029955
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1CCC2=O
Show InChI InChI=1S/C19H25NO3/c1-22-17-8-6-13(12-18(17)23-14-4-2-3-5-14)15-10-11-20-16(15)7-9-19(20)21/h6,8,12,14-16H,2-5,7,9-11H2,1H3/t15-,16-/m1/s1
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63n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


Article DOI: 10.1021/jm00024a012
BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029951
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-tet...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1COC2=O
Show InChI InChI=1S/C18H23NO4/c1-21-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-19-15(14)11-22-18(19)20/h6-7,10,13-15H,2-5,8-9,11H2,1H3/t14-,15-/m1/s1
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70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


Article DOI: 10.1021/jm00024a012
BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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221n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


Article DOI: 10.1021/jm00024a012
BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029953
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-tet...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@H]1COC2=O
Show InChI InChI=1S/C18H23NO4/c1-21-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-19-15(14)11-22-18(19)20/h6-7,10,13-15H,2-5,8-9,11H2,1H3/t14-,15+/m1/s1
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282n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


Article DOI: 10.1021/jm00024a012
BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029957
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@H]1CCC2=O
Show InChI InChI=1S/C19H25NO3/c1-22-17-8-6-13(12-18(17)23-14-4-2-3-5-14)15-10-11-20-16(15)7-9-19(20)21/h6,8,12,14-16H,2-5,7,9-11H2,1H3/t15-,16+/m1/s1
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338n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


Article DOI: 10.1021/jm00024a012
BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029956
PNG
(4-(3-Cyclopentyloxy-4-methoxy-benzyl)-imidazolidin...)
Show SMILES COc1ccc(CC2CNC(=O)N2)cc1OC1CCCC1
Show InChI InChI=1S/C16H22N2O3/c1-20-14-7-6-11(8-12-10-17-16(19)18-12)9-15(14)21-13-4-2-3-5-13/h6-7,9,12-13H,2-5,8,10H2,1H3,(H2,17,18,19)
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447n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


Article DOI: 10.1021/jm00024a012
BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029952
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@H]1CNC2=O
Show InChI InChI=1S/C18H24N2O3/c1-22-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-20-15(14)11-19-18(20)21/h6-7,10,13-15H,2-5,8-9,11H2,1H3,(H,19,21)/t14-,15+/m1/s1
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583n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


Article DOI: 10.1021/jm00024a012
BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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1.93E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


Article DOI: 10.1021/jm00024a012
BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50048241
PNG
((3S,4S)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(C1)C(C)=O
Show InChI InChI=1S/C21H29NO5/c1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16/h9-11,16-17H,5-8,12-13H2,1-4H3/t17-,21-/m0/s1
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7.90E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 7


J Med Chem 38: 4972-5 (1996)


Article DOI: 10.1021/jm00026a003
BindingDB Entry DOI: 10.7270/Q24748ZN
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50048241
PNG
((3S,4S)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(C1)C(C)=O
Show InChI InChI=1S/C21H29NO5/c1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16/h9-11,16-17H,5-8,12-13H2,1-4H3/t17-,21-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 isolated from human trachea


J Med Chem 38: 4972-5 (1996)


Article DOI: 10.1021/jm00026a003
BindingDB Entry DOI: 10.7270/Q24748ZN
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50048241
PNG
((3S,4S)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(C1)C(C)=O
Show InChI InChI=1S/C21H29NO5/c1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16/h9-11,16-17H,5-8,12-13H2,1-4H3/t17-,21-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 2


J Med Chem 38: 4972-5 (1996)


Article DOI: 10.1021/jm00026a003
BindingDB Entry DOI: 10.7270/Q24748ZN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277704
PNG
(3-[(1-methyl-1H-indazol-3-yl)amino]pyridine-4-carb...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C14H12N4O2/c1-18-12-5-3-2-4-10(12)13(17-18)16-11-8-15-7-6-9(11)14(19)20/h2-8H,1H3,(H,16,17)(H,19,20)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277704
PNG
(3-[(1-methyl-1H-indazol-3-yl)amino]pyridine-4-carb...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C14H12N4O2/c1-18-12-5-3-2-4-10(12)13(17-18)16-11-8-15-7-6-9(11)14(19)20/h2-8H,1H3,(H,16,17)(H,19,20)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277704
PNG
(3-[(1-methyl-1H-indazol-3-yl)amino]pyridine-4-carb...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C14H12N4O2/c1-18-12-5-3-2-4-10(12)13(17-18)16-11-8-15-7-6-9(11)14(19)20/h2-8H,1H3,(H,16,17)(H,19,20)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277706
PNG
(3-(1,2-benzoxazol-3-ylamino]pyridine-4-carboxylic ...)
Show SMILES OC(=O)c1ccncc1Nc1noc2ccccc12
Show InChI InChI=1S/C13H9N3O3/c17-13(18)8-5-6-14-7-10(8)15-12-9-3-1-2-4-11(9)19-16-12/h1-7H,(H,15,16)(H,17,18)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277706
PNG
(3-(1,2-benzoxazol-3-ylamino]pyridine-4-carboxylic ...)
Show SMILES OC(=O)c1ccncc1Nc1noc2ccccc12
Show InChI InChI=1S/C13H9N3O3/c17-13(18)8-5-6-14-7-10(8)15-12-9-3-1-2-4-11(9)19-16-12/h1-7H,(H,15,16)(H,17,18)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277706
PNG
(3-(1,2-benzoxazol-3-ylamino]pyridine-4-carboxylic ...)
Show SMILES OC(=O)c1ccncc1Nc1noc2ccccc12
Show InChI InChI=1S/C13H9N3O3/c17-13(18)8-5-6-14-7-10(8)15-12-9-3-1-2-4-11(9)19-16-12/h1-7H,(H,15,16)(H,17,18)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277707
PNG
(3-[(5-chloro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C14H11ClN4O2/c1-19-12-3-2-8(15)6-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277707
PNG
(3-[(5-chloro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C14H11ClN4O2/c1-19-12-3-2-8(15)6-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277708
PNG
(3-[(1,6-dimethyl-1H-indazol-3-yl)amino]pyridine-4-...)
Show SMILES Cc1ccc2c(Nc3cnccc3C(O)=O)nn(C)c2c1
Show InChI InChI=1S/C15H14N4O2/c1-9-3-4-11-13(7-9)19(2)18-14(11)17-12-8-16-6-5-10(12)15(20)21/h3-8H,1-2H3,(H,17,18)(H,20,21)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277708
PNG
(3-[(1,6-dimethyl-1H-indazol-3-yl)amino]pyridine-4-...)
Show SMILES Cc1ccc2c(Nc3cnccc3C(O)=O)nn(C)c2c1
Show InChI InChI=1S/C15H14N4O2/c1-9-3-4-11-13(7-9)19(2)18-14(11)17-12-8-16-6-5-10(12)15(20)21/h3-8H,1-2H3,(H,17,18)(H,20,21)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277709
PNG
(3-[(6-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2ccc(F)cc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-12-6-8(15)2-3-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277709
PNG
(3-[(6-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2ccc(F)cc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-12-6-8(15)2-3-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277709
PNG
(3-[(6-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2ccc(F)cc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-12-6-8(15)2-3-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277710
PNG
(3-[(5-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-12-3-2-8(15)6-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277710
PNG
(3-[(5-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-12-3-2-8(15)6-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277710
PNG
(3-[(5-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-12-3-2-8(15)6-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277711
PNG
(3-[(6-methoxy-1-methyl-1H-indazol-3-yl)amino]pyrid...)
Show SMILES COc1ccc2c(Nc3cnccc3C(O)=O)nn(C)c2c1
Show InChI InChI=1S/C15H14N4O3/c1-19-13-7-9(22-2)3-4-11(13)14(18-19)17-12-8-16-6-5-10(12)15(20)21/h3-8H,1-2H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277711
PNG
(3-[(6-methoxy-1-methyl-1H-indazol-3-yl)amino]pyrid...)
Show SMILES COc1ccc2c(Nc3cnccc3C(O)=O)nn(C)c2c1
Show InChI InChI=1S/C15H14N4O3/c1-19-13-7-9(22-2)3-4-11(13)14(18-19)17-12-8-16-6-5-10(12)15(20)21/h3-8H,1-2H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277712
PNG
(3-[(1-propyl-1H-indazol-3-yl)amino]pyridine-4-carb...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C16H16N4O2/c1-2-9-20-14-6-4-3-5-12(14)15(19-20)18-13-10-17-8-7-11(13)16(21)22/h3-8,10H,2,9H2,1H3,(H,18,19)(H,21,22)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277712
PNG
(3-[(1-propyl-1H-indazol-3-yl)amino]pyridine-4-carb...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C16H16N4O2/c1-2-9-20-14-6-4-3-5-12(14)15(19-20)18-13-10-17-8-7-11(13)16(21)22/h3-8,10H,2,9H2,1H3,(H,18,19)(H,21,22)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277713
PNG
(3-{[1-(2-methoxyethyl)-1H-indazol-3-yl]amino}pyrid...)
Show SMILES COCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C16H16N4O3/c1-23-9-8-20-14-5-3-2-4-12(14)15(19-20)18-13-10-17-7-6-11(13)16(21)22/h2-7,10H,8-9H2,1H3,(H,18,19)(H,21,22)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277713
PNG
(3-{[1-(2-methoxyethyl)-1H-indazol-3-yl]amino}pyrid...)
Show SMILES COCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C16H16N4O3/c1-23-9-8-20-14-5-3-2-4-12(14)15(19-20)18-13-10-17-7-6-11(13)16(21)22/h2-7,10H,8-9H2,1H3,(H,18,19)(H,21,22)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277714
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-1H-indazo...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3/c1-23(2)9-11-27-12-10-24-17-6-4-3-5-15(17)18(22-24)21-16-13-20-8-7-14(16)19(25)26/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277714
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-1H-indazo...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3/c1-23(2)9-11-27-12-10-24-17-6-4-3-5-15(17)18(22-24)21-16-13-20-8-7-14(16)19(25)26/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277714
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-1H-indazo...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3/c1-23(2)9-11-27-12-10-24-17-6-4-3-5-15(17)18(22-24)21-16-13-20-8-7-14(16)19(25)26/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H,25,26)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277715
PNG
(3-[(1,5-dimethyl-1H-indazol-3-yl)amino]pyridine-4-...)
Show SMILES Cc1ccc2n(C)nc(Nc3cnccc3C(O)=O)c2c1
Show InChI InChI=1S/C15H14N4O2/c1-9-3-4-13-11(7-9)14(18-19(13)2)17-12-8-16-6-5-10(12)15(20)21/h3-8H,1-2H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277715
PNG
(3-[(1,5-dimethyl-1H-indazol-3-yl)amino]pyridine-4-...)
Show SMILES Cc1ccc2n(C)nc(Nc3cnccc3C(O)=O)c2c1
Show InChI InChI=1S/C15H14N4O2/c1-9-3-4-13-11(7-9)14(18-19(13)2)17-12-8-16-6-5-10(12)15(20)21/h3-8H,1-2H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277715
PNG
(3-[(1,5-dimethyl-1H-indazol-3-yl)amino]pyridine-4-...)
Show SMILES Cc1ccc2n(C)nc(Nc3cnccc3C(O)=O)c2c1
Show InChI InChI=1S/C15H14N4O2/c1-9-3-4-13-11(7-9)14(18-19(13)2)17-12-8-16-6-5-10(12)15(20)21/h3-8H,1-2H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277716
PNG
(3-[(4-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2c(F)cccc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-11-4-2-3-9(15)12(11)13(18-19)17-10-7-16-6-5-8(10)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277716
PNG
(3-[(4-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2c(F)cccc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-11-4-2-3-9(15)12(11)13(18-19)17-10-7-16-6-5-8(10)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277716
PNG
(3-[(4-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2c(F)cccc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-11-4-2-3-9(15)12(11)13(18-19)17-10-7-16-6-5-8(10)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277717
PNG
(3-[(5-trifluoromethyl-1-methyl-1H-indazol-3-yl)ami...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2/c1-22-12-3-2-8(15(16,17)18)6-10(12)13(21-22)20-11-7-19-5-4-9(11)14(23)24/h2-7H,1H3,(H,20,21)(H,23,24)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277717
PNG
(3-[(5-trifluoromethyl-1-methyl-1H-indazol-3-yl)ami...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2/c1-22-12-3-2-8(15(16,17)18)6-10(12)13(21-22)20-11-7-19-5-4-9(11)14(23)24/h2-7H,1H3,(H,20,21)(H,23,24)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277717
PNG
(3-[(5-trifluoromethyl-1-methyl-1H-indazol-3-yl)ami...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2/c1-22-12-3-2-8(15(16,17)18)6-10(12)13(21-22)20-11-7-19-5-4-9(11)14(23)24/h2-7H,1H3,(H,20,21)(H,23,24)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277718
PNG
(3-[(5-fluoro-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O2/c1-2-7-21-14-4-3-10(17)8-12(14)15(20-21)19-13-9-18-6-5-11(13)16(22)23/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H,22,23)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277718
PNG
(3-[(5-fluoro-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O2/c1-2-7-21-14-4-3-10(17)8-12(14)15(20-21)19-13-9-18-6-5-11(13)16(22)23/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H,22,23)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277719
PNG
(3-{[1-(cyclopropylmethyl)-5-fluoro-1H-indazol-3-yl...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O2/c18-11-3-4-15-13(7-11)16(21-22(15)9-10-1-2-10)20-14-8-19-6-5-12(14)17(23)24/h3-8,10H,1-2,9H2,(H,20,21)(H,23,24)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277719
PNG
(3-{[1-(cyclopropylmethyl)-5-fluoro-1H-indazol-3-yl...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O2/c18-11-3-4-15-13(7-11)16(21-22(15)9-10-1-2-10)20-14-8-19-6-5-12(14)17(23)24/h3-8,10H,1-2,9H2,(H,20,21)(H,23,24)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

More data for this
Ligand-Target Pair
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