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Compile Data Set for Download or QSAR

Found 511 hits Enz. Inhib. hit(s) with all data for entry = 2663   
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 2B


(Homo sapiens (Human))
BDBM264089
PNG
(2-[3-[(2-fluoro-4- methylphenyl)methyl]-5- hydroxy...)
Show SMILES Cc1ccc(Cc2cc(O)n(n2)-c2cc(ccn2)C(O)=O)c(F)c1
Show InChI InChI=1S/C17H14FN3O3/c1-10-2-3-11(14(18)6-10)7-13-9-16(22)21(20-13)15-8-12(17(23)24)4-5-19-15/h2-6,8-9,22H,7H2,1H3,(H,23,24)
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The Scripps Research Institute



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 ...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264090
PNG
(2-[3-[(2,4-difluorophenyl)methyl]- 5-hydroxypyrazo...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(Cc2ccc(F)cc2F)cc1O
Show InChI InChI=1S/C16H11F2N3O3/c17-11-2-1-9(13(18)7-11)5-12-8-15(22)21(20-12)14-6-10(16(23)24)3-4-19-14/h1-4,6-8,22H,5H2,(H,23,24)
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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 ...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM264038
PNG
(2-[5-(2,3-dihydro-1-benzofuran-7- ylmethoxy)pyrazo...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1cccc2CCOc12
Show InChI InChI=1S/C18H15N3O4/c22-18(23)13-4-7-19-15(10-13)21-16(5-8-20-21)25-11-14-3-1-2-12-6-9-24-17(12)14/h1-5,7-8,10H,6,9,11H2,(H,22,23)
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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...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM264038
PNG
(2-[5-(2,3-dihydro-1-benzofuran-7- ylmethoxy)pyrazo...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1cccc2CCOc12
Show InChI InChI=1S/C18H15N3O4/c22-18(23)13-4-7-19-15(10-13)21-16(5-8-20-21)25-11-14-3-1-2-12-6-9-24-17(12)14/h1-5,7-8,10H,6,9,11H2,(H,22,23)
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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...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


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


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM264071
PNG
(2-[4-(2-[(4-fluorophenyl)methyl- methylamino]ethyl...)
Show SMILES CN(CCc1cnn(c1)-c1cc(ccn1)C(O)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C19H19FN4O2/c1-23(12-14-2-4-17(20)5-3-14)9-7-15-11-22-24(13-15)18-10-16(19(25)26)6-8-21-18/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,25,26)
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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...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM264071
PNG
(2-[4-(2-[(4-fluorophenyl)methyl- methylamino]ethyl...)
Show SMILES CN(CCc1cnn(c1)-c1cc(ccn1)C(O)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C19H19FN4O2/c1-23(12-14-2-4-17(20)5-3-14)9-7-15-11-22-24(13-15)18-10-16(19(25)26)6-8-21-18/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,25,26)
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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...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM264071
PNG
(2-[4-(2-[(4-fluorophenyl)methyl- methylamino]ethyl...)
Show SMILES CN(CCc1cnn(c1)-c1cc(ccn1)C(O)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C19H19FN4O2/c1-23(12-14-2-4-17(20)5-3-14)9-7-15-11-22-24(13-15)18-10-16(19(25)26)6-8-21-18/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,25,26)
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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 ...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM375615
PNG
(N-cyano-2-[4-[2-[(4- fluorophenyl)methyl- methylam...)
Show SMILES CN(CCc1cnn(c1)-c1cc(ccn1)C(=O)NC#N)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(12-15-2-4-18(21)5-3-15)9-7-16-11-25-27(13-16)19-10-17(6-8-23-19)20(28)24-14-22/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,24,28)
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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...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM375615
PNG
(N-cyano-2-[4-[2-[(4- fluorophenyl)methyl- methylam...)
Show SMILES CN(CCc1cnn(c1)-c1cc(ccn1)C(=O)NC#N)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(12-15-2-4-18(21)5-3-15)9-7-16-11-25-27(13-16)19-10-17(6-8-23-19)20(28)24-14-22/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,24,28)
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UniProtKB/SwissProt

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The Scripps Research Institute



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...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair
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