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Compile Data Set for Download or QSAR

Found 4669 hits with Last Name = 'wallace' and Initial = 'mb'   
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
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50065621
PNG
(CHEMBL94688 | [(S)-1-((S)-1-{(S)-3-Carbamoyl-1-[2-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)\C=C1/CCCOC1=O
Show InChI InChI=1S/C33H42N4O7/c1-22(2)18-27(37-33(42)44-21-24-12-7-4-8-13-24)31(40)36-28(19-23-10-5-3-6-11-23)30(39)35-26(15-16-29(34)38)20-25-14-9-17-43-32(25)41/h3-8,10-13,20,22,26-28H,9,14-19,21H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,37,42)/b25-20+/t26-,27-,28-/m0/s1
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30n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Catalytic rate constant (Kobs/[I]) of the compound was evaluated against human rhinovirus (HRV) serotype 14 3C Protease (3CP)


J Med Chem 41: 2806-18 (1998)


Article DOI: 10.1021/jm980068d
BindingDB Entry DOI: 10.7270/Q29G5KZQ
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087766
PNG
(1-Oxo-1H-indene-5-carboxylic acid amide | CHEMBL47...)
Show SMILES NC(=O)c1ccc2C(=O)C=Cc2c1
Show InChI InChI=1S/C10H7NO2/c11-10(13)7-1-3-8-6(5-7)2-4-9(8)12/h1-5H,(H2,11,13)
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120n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087780
PNG
(3-(3-Oxo-3-phenyl-propenyl)-benzamide | CHEMBL2949...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H13NO2/c17-16(19)14-8-4-5-12(11-14)9-10-15(18)13-6-2-1-3-7-13/h1-11H,(H2,17,19)/b10-9+
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400n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087767
PNG
(3-(3-Carbamoyl-phenyl)-2-cyano-acrylic acid ethyl ...)
Show SMILES CCOC(=O)C(=C\c1cccc(c1)C(N)=O)\C#N
Show InChI InChI=1S/C13H12N2O3/c1-2-18-13(17)11(8-14)7-9-4-3-5-10(6-9)12(15)16/h3-7H,2H2,1H3,(H2,15,16)/b11-7+
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1.50E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for irreversible inhibition of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087772
PNG
(3-[3-(4-Methoxy-phenyl)-3-oxo-propenyl]-benzamide ...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cccc(c1)C(N)=O
Show InChI InChI=1S/C17H15NO3/c1-21-15-8-6-13(7-9-15)16(19)10-5-12-3-2-4-14(11-12)17(18)20/h2-11H,1H3,(H2,18,20)/b10-5+
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1.80E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087770
PNG
(3-(3-Oxo-3-pyridin-2-yl-propenyl)-benzamide | CHEM...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccccn2)c1
Show InChI InChI=1S/C15H12N2O2/c16-15(19)12-5-3-4-11(10-12)7-8-14(18)13-6-1-2-9-17-13/h1-10H,(H2,16,19)/b8-7+
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1.80E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087769
PNG
(3-(3-Furan-2-yl-3-oxo-propenyl)-benzamide | CHEMBL...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccco2)c1
Show InChI InChI=1S/C14H11NO3/c15-14(17)11-4-1-3-10(9-11)6-7-12(16)13-5-2-8-18-13/h1-9H,(H2,15,17)/b7-6+
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1.90E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087768
PNG
(3-[3-(4-Dimethylamino-phenyl)-3-oxo-propenyl]-benz...)
Show SMILES CN(C)c1ccc(cc1)C(=O)\C=C\c1cccc(c1)C(N)=O
Show InChI InChI=1S/C18H18N2O2/c1-20(2)16-9-7-14(8-10-16)17(21)11-6-13-4-3-5-15(12-13)18(19)22/h3-12H,1-2H3,(H2,19,22)/b11-6+
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9.00E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087773
PNG
(3-(3-Oxo-but-1-enyl)-benzamide | CHEMBL47015)
Show SMILES CC(=O)C=Cc1cccc(c1)C(N)=O
Show InChI InChI=1S/C11H11NO2/c1-8(13)5-6-9-3-2-4-10(7-9)11(12)14/h2-7H,1H3,(H2,12,14)
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2.50E+4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087787
PNG
(3-Formyl-benzamide | CHEMBL43885)
Show SMILES NC(=O)c1cccc(C=O)c1
Show InChI InChI=1S/C8H7NO2/c9-8(11)7-3-1-2-6(4-7)5-10/h1-5H,(H2,9,11)
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1.04E+5n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus (HRV-14) 3C Protease


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277724
PNG
(3-{[5-fluoro-1-(tetrahydrofuran-2-ylmethyl)-1H-ind...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC2CCCO2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O3/c19-11-3-4-16-14(8-11)17(22-23(16)10-12-2-1-7-26-12)21-15-9-20-6-5-13(15)18(24)25/h3-6,8-9,12H,1-2,7,10H2,(H,21,22)(H,24,25)
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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))
BDBM277724
PNG
(3-{[5-fluoro-1-(tetrahydrofuran-2-ylmethyl)-1H-ind...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC2CCCO2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O3/c19-11-3-4-16-14(8-11)17(22-23(16)10-12-2-1-7-26-12)21-15-9-20-6-5-13(15)18(24)25/h3-6,8-9,12H,1-2,7,10H2,(H,21,22)(H,24,25)
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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))
BDBM277725
PNG
(3-({1-[2-(dimethylamino)pentyl]-5-fluoro-1H-indazo...)
Show SMILES CN(C)CCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C20H24FN5O2/c1-25(2)10-4-3-5-11-26-18-7-6-14(21)12-16(18)19(24-26)23-17-13-22-9-8-15(17)20(27)28/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,24)(H,27,28)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The 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))
BDBM277725
PNG
(3-({1-[2-(dimethylamino)pentyl]-5-fluoro-1H-indazo...)
Show SMILES CN(C)CCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C20H24FN5O2/c1-25(2)10-4-3-5-11-26-18-7-6-14(21)12-16(18)19(24-26)23-17-13-22-9-8-15(17)20(27)28/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,24)(H,27,28)
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n/an/a<0.100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277726
PNG
(3-{[5-fluoro-1-(2,2,2-trifluoroethyl)-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC(F)(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C15H10F4N4O2/c16-8-1-2-12-10(5-8)13(22-23(12)7-15(17,18)19)21-11-6-20-4-3-9(11)14(24)25/h1-6H,7H2,(H,21,22)(H,24,25)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277726
PNG
(3-{[5-fluoro-1-(2,2,2-trifluoroethyl)-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC(F)(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C15H10F4N4O2/c16-8-1-2-12-10(5-8)13(22-23(12)7-15(17,18)19)21-11-6-20-4-3-9(11)14(24)25/h1-6H,7H2,(H,21,22)(H,24,25)
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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))
BDBM277727
PNG
(3-[(1-benzyl-5-fluoro-1H-indazol-3-yl)amino]pyridi...)
Show SMILES OC(=O)c1ccncc1Nc1nn(Cc2ccccc2)c2ccc(F)cc12
Show InChI InChI=1S/C20H15FN4O2/c21-14-6-7-18-16(10-14)19(23-17-11-22-9-8-15(17)20(26)27)24-25(18)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,24)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277727
PNG
(3-[(1-benzyl-5-fluoro-1H-indazol-3-yl)amino]pyridi...)
Show SMILES OC(=O)c1ccncc1Nc1nn(Cc2ccccc2)c2ccc(F)cc12
Show InChI InChI=1S/C20H15FN4O2/c21-14-6-7-18-16(10-14)19(23-17-11-22-9-8-15(17)20(26)27)24-25(18)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,24)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277728
PNG
(3-{[5-fluoro-1-(2-methylpropyl)-1H-indazol-3-yl]am...)
Show SMILES CC(C)Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C17H17FN4O2/c1-10(2)9-22-15-4-3-11(18)7-13(15)16(21-22)20-14-8-19-6-5-12(14)17(23)24/h3-8,10H,9H2,1-2H3,(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))
BDBM277728
PNG
(3-{[5-fluoro-1-(2-methylpropyl)-1H-indazol-3-yl]am...)
Show SMILES CC(C)Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C17H17FN4O2/c1-10(2)9-22-15-4-3-11(18)7-13(15)16(21-22)20-14-8-19-6-5-12(14)17(23)24/h3-8,10H,9H2,1-2H3,(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 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))
BDBM277729
PNG
(3-{[5-fluoro-1-(butan-2-yl)-1H-indazol-3-yl]amino}...)
Show SMILES CCC(C)n1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C17H17FN4O2/c1-3-10(2)22-15-5-4-11(18)8-13(15)16(21-22)20-14-9-19-7-6-12(14)17(23)24/h4-10H,3H2,1-2H3,(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))
BDBM277729
PNG
(3-{[5-fluoro-1-(butan-2-yl)-1H-indazol-3-yl]amino}...)
Show SMILES CCC(C)n1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C17H17FN4O2/c1-3-10(2)22-15-5-4-11(18)8-13(15)16(21-22)20-14-9-19-7-6-12(14)17(23)24/h4-10H,3H2,1-2H3,(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 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))
BDBM277730
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-5-fluoro-...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C19H22FN5O3/c1-24(2)7-9-28-10-8-25-17-4-3-13(20)11-15(17)18(23-25)22-16-12-21-6-5-14(16)19(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277730
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-5-fluoro-...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C19H22FN5O3/c1-24(2)7-9-28-10-8-25-17-4-3-13(20)11-15(17)18(23-25)22-16-12-21-6-5-14(16)19(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277730
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-5-fluoro-...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C19H22FN5O3/c1-24(2)7-9-28-10-8-25-17-4-3-13(20)11-15(17)18(23-25)22-16-12-21-6-5-14(16)19(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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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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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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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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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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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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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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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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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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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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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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 5B


(Homo sapiens (Human))
BDBM277745
PNG
(3-{[5-fluoro-1-(3-hydroxypropyl)-1H-indazol-3-yl]a...)
Show SMILES OCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O3/c17-10-2-3-14-12(8-10)15(20-21(14)6-1-7-22)19-13-9-18-5-4-11(13)16(23)24/h2-5,8-9,22H,1,6-7H2,(H,19,20)(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))
BDBM277745
PNG
(3-{[5-fluoro-1-(3-hydroxypropyl)-1H-indazol-3-yl]a...)
Show SMILES OCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O3/c17-10-2-3-14-12(8-10)15(20-21(14)6-1-7-22)19-13-9-18-5-4-11(13)16(23)24/h2-5,8-9,22H,1,6-7H2,(H,19,20)(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 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))
BDBM277746
PNG
(3-({1-[4-(dimethylamino)butyl]-5-fluoro-1H-indazol...)
Show SMILES CN(C)CCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C19H22FN5O2/c1-24(2)9-3-4-10-25-17-6-5-13(20)11-15(17)18(23-25)22-16-12-21-8-7-14(16)19(26)27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277746
PNG
(3-({1-[4-(dimethylamino)butyl]-5-fluoro-1H-indazol...)
Show SMILES CN(C)CCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C19H22FN5O2/c1-24(2)9-3-4-10-25-17-6-5-13(20)11-15(17)18(23-25)22-16-12-21-8-7-14(16)19(26)27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277746
PNG
(3-({1-[4-(dimethylamino)butyl]-5-fluoro-1H-indazol...)
Show SMILES CN(C)CCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C19H22FN5O2/c1-24(2)9-3-4-10-25-17-6-5-13(20)11-15(17)18(23-25)22-16-12-21-8-7-14(16)19(26)27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23)(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10040779 (2018)

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


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

US Patent


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

US Patent


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


US Patent US10040779 (2018)

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


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

US Patent


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


US Patent US10040779 (2018)

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


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

US Patent


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


US Patent US10040779 (2018)

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


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

US Patent


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


US Patent US10040779 (2018)

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


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

US Patent


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


US Patent US10040779 (2018)

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


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

US Patent


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


US Patent US10040779 (2018)

More data for this
Ligand-Target Pair
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