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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 147.0
BDBM26106
Purchase
Wt: 167.1
BDBM26113
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Wt: 203.1
BDBM50158693
Wt: 147.1
BDBM50150025
Wt: 204.2
BDBM50153151
Wt: 154.1
BDBM50163389
Wt: 203.1
BDBM263966
Wt: 205.1
BDBM263941
Wt: 206.1
BDBM320382
Wt: 196.5
BDBM320361
Wt: 204.2
BDBM320366
Wt: 192.1
BDBM320367
Wt: 206.1
BDBM320394
Wt: 202.2
BDBM320369
Wt: 206.1
BDBM320376
Displayed 1 to 15 (of 626 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 168 hits in this display   
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 4C


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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2.20n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using A...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase alpha-1 subunit


(Rattus norvegicus)
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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540n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of prolyl 4-hydroxylase


J Med Chem 35: 2652-8 (1992)


Article DOI: 10.1021/jm00092a016
BindingDB Entry DOI: 10.7270/Q28P5ZF9
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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8.00E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human PHD2


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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1.30E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay


Bioorg Med Chem Lett 22: 5811-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.091
BindingDB Entry DOI: 10.7270/Q2222VV7
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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9.14E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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1.20E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of asparaginyl hydroxylase factor-inhibiting-HIF


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a<10n/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 US9604961 (2017)

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


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a<10n/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 US9604961 (2017)

More data for this
Ligand-Target Pair
jmjd2c


(Homo sapiens (Human))
BDBM263966
PNG
(2-(5-methyl-1H-pyrazol-1- yl)isonicotinic acid | U...)
Show SMILES Cc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-7-2-5-12-13(7)9-6-8(10(14)15)3-4-11-9/h2-6H,1H3,(H,14,15)
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n/an/a 55n/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 US9604961 (2017)

More data for this
Ligand-Target Pair
jmjd2c


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a 55n/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 US9604961 (2017)

More data for this
Ligand-Target Pair
fbxl10


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a 55n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US9604961 (2017)

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


(Homo sapiens (Human))
BDBM320394
PNG
(2-(methoxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES COCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C10H10N2O3/c1-15-5-6-4-8-9(12-6)7(10(13)14)2-3-11-8/h2-4,12H,5H2,1H3,(H,13,14)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM50158693
PNG
(CHEMBL3787133)
Show SMILES Cn1cnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-13-5-9(12-6-13)8-4-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4C (2 to 372 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 subs...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50158693
PNG
(CHEMBL3787133)
Show SMILES Cn1cnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-13-5-9(12-6-13)8-4-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KDM4A (1 to 350 residues) expressed in Escherichia coli using biotin-H3K9me3 substrate incubate...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2B (KDM2B)


(Homo sapiens (Human))
BDBM50158693
PNG
(CHEMBL3787133)
Show SMILES Cn1cnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-13-5-9(12-6-13)8-4-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 su...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158693
PNG
(CHEMBL3787133)
Show SMILES Cn1cnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-13-5-9(12-6-13)8-4-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158693
PNG
(CHEMBL3787133)
Show SMILES Cn1cnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-13-5-9(12-6-13)8-4-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-FLAG-tagged KDM5B (2 to 751 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a<100n/an/an/an/an/a25



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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Celgene Quantical Research, Inc.

US Patent


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


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM320376
PNG
(2-(1-hydroxyethyl)-1H- pyrrolo[3,2-b]pyridine-7- c...)
Show SMILES CC(O)c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C10H10N2O3/c1-5(13)7-4-8-9(12-7)6(10(14)15)2-3-11-8/h2-5,12-13H,1H3,(H,14,15)
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Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM320369
PNG
(2-cyclopropyl-1H-pyrrolo- [3,2-b]pyridine-7-carbox...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C1CC1
Show InChI InChI=1S/C11H10N2O2/c14-11(15)7-3-4-12-9-5-8(6-1-2-6)13-10(7)9/h3-6,13H,1-2H2,(H,14,15)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM320366
PNG
(2-propyl-1H-pyrrolo[3,2-b] pyridine-7-carboxylic a...)
Show SMILES CCCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C11H12N2O2/c1-2-3-7-6-9-10(13-7)8(11(14)15)4-5-12-9/h4-6,13H,2-3H2,1H3,(H,14,15)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM320369
PNG
(2-cyclopropyl-1H-pyrrolo- [3,2-b]pyridine-7-carbox...)
Show SMILES OC(=O)c1ccnc2cc([nH]c12)C1CC1
Show InChI InChI=1S/C11H10N2O2/c14-11(15)7-3-4-12-9-5-8(6-1-2-6)13-10(7)9/h3-6,13H,1-2H2,(H,14,15)
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n/an/a<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 US10174026 (2019)

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


(Homo sapiens (Human))
BDBM320376
PNG
(2-(1-hydroxyethyl)-1H- pyrrolo[3,2-b]pyridine-7- c...)
Show SMILES CC(O)c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C10H10N2O3/c1-5(13)7-4-8-9(12-7)6(10(14)15)2-3-11-8/h2-5,12-13H,1H3,(H,14,15)
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n/an/a<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 US10174026 (2019)

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


(Homo sapiens (Human))
BDBM320394
PNG
(2-(methoxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES COCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C10H10N2O3/c1-15-5-6-4-8-9(12-6)7(10(13)14)2-3-11-8/h2-4,12H,5H2,1H3,(H,13,14)
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n/an/a<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 US10174026 (2019)

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


(Homo sapiens (Human))
BDBM320366
PNG
(2-propyl-1H-pyrrolo[3,2-b] pyridine-7-carboxylic a...)
Show SMILES CCCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C11H12N2O2/c1-2-3-7-6-9-10(13-7)8(11(14)15)4-5-12-9/h4-6,13H,2-3H2,1H3,(H,14,15)
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n/an/a<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 US10174026 (2019)

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


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a<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 US10173996 (2019)

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


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a<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 US10173996 (2019)

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


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 188n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated ...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50163389
PNG
(CHEMBL3793278)
Show SMILES NNc1nccc(n1)C(O)=O
Show InChI InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)
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n/an/a 220n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of subs...


Bioorg Med Chem Lett 26: 2284-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.048
BindingDB Entry DOI: 10.7270/Q2XP76TS
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 290n/an/an/an/a7.5n/a



University of Oxford



Assay Description
The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...


Nat Chem Biol 12: 539-45 (2016)


Article DOI: 10.1038/nchembio.2087
BindingDB Entry DOI: 10.7270/Q27P8X6K
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 530n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 5...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320394
PNG
(2-(methoxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES COCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C10H10N2O3/c1-15-5-6-4-8-9(12-6)7(10(13)14)2-3-11-8/h2-4,12H,5H2,1H3,(H,13,14)
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n/an/a 550n/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 US10174026 (2019)

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


(Homo sapiens (Human))
BDBM320394
PNG
(2-(methoxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES COCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C10H10N2O3/c1-15-5-6-4-8-9(12-6)7(10(13)14)2-3-11-8/h2-4,12H,5H2,1H3,(H,13,14)
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n/an/a 550n/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 US10174026 (2019)

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


(Homo sapiens (Human))
BDBM320367
PNG
(2-(hydroxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES OCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C9H8N2O3/c12-4-5-3-7-8(11-5)6(9(13)14)1-2-10-7/h1-3,11-12H,4H2,(H,13,14)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM320367
PNG
(2-(hydroxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES OCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C9H8N2O3/c12-4-5-3-7-8(11-5)6(9(13)14)1-2-10-7/h1-3,11-12H,4H2,(H,13,14)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM320367
PNG
(2-(hydroxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES OCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C9H8N2O3/c12-4-5-3-7-8(11-5)6(9(13)14)1-2-10-7/h1-3,11-12H,4H2,(H,13,14)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM320376
PNG
(2-(1-hydroxyethyl)-1H- pyrrolo[3,2-b]pyridine-7- c...)
Show SMILES CC(O)c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C10H10N2O3/c1-5(13)7-4-8-9(12-7)6(10(14)15)2-3-11-8/h2-5,12-13H,1H3,(H,14,15)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM320376
PNG
(2-(1-hydroxyethyl)-1H- pyrrolo[3,2-b]pyridine-7- c...)
Show SMILES CC(O)c1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C10H10N2O3/c1-5(13)7-4-8-9(12-7)6(10(14)15)2-3-11-8/h2-5,12-13H,1H3,(H,14,15)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM320394
PNG
(2-(methoxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES COCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C10H10N2O3/c1-15-5-6-4-8-9(12-6)7(10(13)14)2-3-11-8/h2-4,12H,5H2,1H3,(H,13,14)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM320394
PNG
(2-(methoxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES COCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C10H10N2O3/c1-15-5-6-4-8-9(12-6)7(10(13)14)2-3-11-8/h2-4,12H,5H2,1H3,(H,13,14)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9738637 (2017)

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


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a 550n/an/an/an/an/a25



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a 550n/an/an/an/an/a25



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM263966
PNG
(2-(5-methyl-1H-pyrazol-1- yl)isonicotinic acid | U...)
Show SMILES Cc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-7-2-5-12-13(7)9-6-8(10(14)15)3-4-11-9/h2-6H,1H3,(H,14,15)
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n/an/a 550n/an/an/an/an/a25



Celgene Quantical Research, Inc.

US Patent


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


US Patent US9714230 (2017)

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


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a 550n/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 US10173996 (2019)

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


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


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


US Patent US10173996 (2019)

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


(Homo sapiens (Human))
BDBM263966
PNG
(2-(5-methyl-1H-pyrazol-1- yl)isonicotinic acid | U...)
Show SMILES Cc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-7-2-5-12-13(7)9-6-8(10(14)15)3-4-11-9/h2-6H,1H3,(H,14,15)
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n/an/a 550n/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 US10173996 (2019)

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


(Homo sapiens (Human))
BDBM320367
PNG
(2-(hydroxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES OCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C9H8N2O3/c12-4-5-3-7-8(11-5)6(9(13)14)1-2-10-7/h1-3,11-12H,4H2,(H,13,14)
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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 US10174026 (2019)

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


(Homo sapiens (Human))
BDBM320367
PNG
(2-(hydroxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES OCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C9H8N2O3/c12-4-5-3-7-8(11-5)6(9(13)14)1-2-10-7/h1-3,11-12H,4H2,(H,13,14)
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n/an/a 550n/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 US10174026 (2019)

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


(Homo sapiens (Human))
BDBM320367
PNG
(2-(hydroxymethyl)-1H- pyrrolo[3,2-b]pyridine-7- ca...)
Show SMILES OCc1cc2nccc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C9H8N2O3/c12-4-5-3-7-8(11-5)6(9(13)14)1-2-10-7/h1-3,11-12H,4H2,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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 US10174026 (2019)

More data for this
Ligand-Target Pair
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