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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'king' and Initial = 'on'   
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 2A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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1.97E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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8.50E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl ly...


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
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n/an/a 30n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JARID1C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50495468
PNG
(CHEMBL3108958)
Show SMILES OC(=O)C(F)(F)F.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H18N4O3.C2HF3O2/c22-17-11-16(17)12-1-3-15(4-2-12)25-20(26)13-5-7-23-18(9-13)19-10-14(21(27)28)6-8-24-19;3-2(4,5)1(6)7/h1-10,16-17H,11,22H2,(H,25,26)(H,27,28);(H,6,7)/t16-,17+;/m0./s1
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n/an/a 70n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM50495468
PNG
(CHEMBL3108958)
Show SMILES OC(=O)C(F)(F)F.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H18N4O3.C2HF3O2/c22-17-11-16(17)12-1-3-15(4-2-12)25-20(26)13-5-7-23-18(9-13)19-10-14(21(27)28)6-8-24-19;3-2(4,5)1(6)7/h1-10,16-17H,11,22H2,(H,25,26)(H,27,28);(H,6,7)/t16-,17+;/m0./s1
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n/an/a 140n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD1A (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 140n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD3 (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 170n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD1A (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50495468
PNG
(CHEMBL3108958)
Show SMILES OC(=O)C(F)(F)F.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H18N4O3.C2HF3O2/c22-17-11-16(17)12-1-3-15(4-2-12)25-20(26)13-5-7-23-18(9-13)19-10-14(21(27)28)6-8-24-19;3-2(4,5)1(6)7/h1-10,16-17H,11,22H2,(H,25,26)(H,27,28);(H,6,7)/t16-,17+;/m0./s1
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n/an/a 190n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JARID1C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50495468
PNG
(CHEMBL3108958)
Show SMILES OC(=O)C(F)(F)F.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H18N4O3.C2HF3O2/c22-17-11-16(17)12-1-3-15(4-2-12)25-20(26)13-5-7-23-18(9-13)19-10-14(21(27)28)6-8-24-19;3-2(4,5)1(6)7/h1-10,16-17H,11,22H2,(H,25,26)(H,27,28);(H,6,7)/t16-,17+;/m0./s1
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n/an/a 220n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant FBXL11 (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 250n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 300n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 370n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 400n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50495468
PNG
(CHEMBL3108958)
Show SMILES OC(=O)C(F)(F)F.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H18N4O3.C2HF3O2/c22-17-11-16(17)12-1-3-15(4-2-12)25-20(26)13-5-7-23-18(9-13)19-10-14(21(27)28)6-8-24-19;3-2(4,5)1(6)7/h1-10,16-17H,11,22H2,(H,25,26)(H,27,28);(H,6,7)/t16-,17+;/m0./s1
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 480n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50495473
PNG
(CHEMBL3108955)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C25H28N4O3.ClH/c26-21-15-20(21)16-7-9-17(10-8-16)29-23(31)6-2-1-3-13-28-25(32)19-11-12-22(30)24-18(19)5-4-14-27-24;/h4-5,7-12,14,20-21,30H,1-3,6,13,15,26H2,(H,28,32)(H,29,31);1H/t20-,21+;/m1./s1
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydrogen peroxide formation after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50495472
PNG
(CHEMBL3108952)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C19H17N3O2.ClH/c20-16-10-15(16)11-3-5-12(6-4-11)22-19(24)14-7-8-17(23)18-13(14)2-1-9-21-18;/h1-9,15-16,23H,10,20H2,(H,22,24);1H/t15-,16+;/m0./s1
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydrogen peroxide formation after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50495471
PNG
(CHEMBL3108959)
Show SMILES Cl.COC(=O)c1ccnc(c1)-c1cc(ccn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r|
Show InChI InChI=1S/C22H20N4O3.ClH/c1-29-22(28)15-7-9-25-20(11-15)19-10-14(6-8-24-19)21(27)26-16-4-2-13(3-5-16)17-12-18(17)23;/h2-11,17-18H,12,23H2,1H3,(H,26,27);1H/t17-,18+;/m0./s1
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydrogen peroxide formation after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50495471
PNG
(CHEMBL3108959)
Show SMILES Cl.COC(=O)c1ccnc(c1)-c1cc(ccn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r|
Show InChI InChI=1S/C22H20N4O3.ClH/c1-29-22(28)15-7-9-25-20(11-15)19-10-14(6-8-24-19)21(27)26-16-4-2-13(3-5-16)17-12-18(17)23;/h2-11,17-18H,12,23H2,1H3,(H,26,27);1H/t17-,18+;/m0./s1
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Pichia pastoris using kynuramine as substrate after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50495469
PNG
(CHEMBL3108953)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C23H24N4O3.ClH/c24-19-13-18(19)14-5-7-15(8-6-14)27-21(29)4-2-12-26-23(30)17-9-10-20(28)22-16(17)3-1-11-25-22;/h1,3,5-11,18-19,28H,2,4,12-13,24H2,(H,26,30)(H,27,29);1H/t18-,19+;/m1./s1
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydrogen peroxide formation after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD1A (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM6B catalytic domain expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50495472
PNG
(CHEMBL3108952)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C19H17N3O2.ClH/c20-16-10-15(16)11-3-5-12(6-4-11)22-19(24)14-7-8-17(23)18-13(14)2-1-9-21-18;/h1-9,15-16,23H,10,20H2,(H,22,24);1H/t15-,16+;/m0./s1
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Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli by formaldehyde dehydrogenase coupled assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50495470
PNG
(CHEMBL3108954)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C24H26N4O3.ClH/c25-20-14-19(20)15-6-8-16(9-7-15)28-22(30)5-1-2-12-27-24(31)18-10-11-21(29)23-17(18)4-3-13-26-23;/h3-4,6-11,13,19-20,29H,1-2,5,12,14,25H2,(H,27,31)(H,28,30);1H/t19-,20+;/m1./s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydrogen peroxide formation after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM7A catalytic domain expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydrogen peroxide formation after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50495468
PNG
(CHEMBL3108958)
Show SMILES OC(=O)C(F)(F)F.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H18N4O3.C2HF3O2/c22-17-11-16(17)12-1-3-15(4-2-12)25-20(26)13-5-7-23-18(9-13)19-10-14(21(27)28)6-8-24-19;3-2(4,5)1(6)7/h1-10,16-17H,11,22H2,(H,25,26)(H,27,28);(H,6,7)/t16-,17+;/m0./s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydrogen peroxide formation after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50495473
PNG
(CHEMBL3108955)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C25H28N4O3.ClH/c26-21-15-20(21)16-7-9-17(10-8-16)29-23(31)6-2-1-3-13-28-25(32)19-11-12-22(30)24-18(19)5-4-14-27-24;/h4-5,7-12,14,20-21,30H,1-3,6,13,15,26H2,(H,28,32)(H,29,31);1H/t20-,21+;/m1./s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in Pichia pastoris using benzylamine as substrate after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50495471
PNG
(CHEMBL3108959)
Show SMILES Cl.COC(=O)c1ccnc(c1)-c1cc(ccn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r|
Show InChI InChI=1S/C22H20N4O3.ClH/c1-29-22(28)15-7-9-25-20(11-15)19-10-14(6-8-24-19)21(27)26-16-4-2-13(3-5-16)17-12-18(17)23;/h2-11,17-18H,12,23H2,1H3,(H,26,27);1H/t17-,18+;/m0./s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50495468
PNG
(CHEMBL3108958)
Show SMILES OC(=O)C(F)(F)F.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H18N4O3.C2HF3O2/c22-17-11-16(17)12-1-3-15(4-2-12)25-20(26)13-5-7-23-18(9-13)19-10-14(21(27)28)6-8-24-19;3-2(4,5)1(6)7/h1-10,16-17H,11,22H2,(H,25,26)(H,27,28);(H,6,7)/t16-,17+;/m0./s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD3 (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50495470
PNG
(CHEMBL3108954)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C24H26N4O3.ClH/c25-20-14-19(20)15-6-8-16(9-7-15)28-22(30)5-1-2-12-27-24(31)18-10-11-21(29)23-17(18)4-3-13-26-23;/h3-4,6-11,13,19-20,29H,1-2,5,12,14,25H2,(H,27,31)(H,28,30);1H/t19-,20+;/m1./s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50495470
PNG
(CHEMBL3108954)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C24H26N4O3.ClH/c25-20-14-19(20)15-6-8-16(9-7-15)28-22(30)5-1-2-12-27-24(31)18-10-11-21(29)23-17(18)4-3-13-26-23;/h3-4,6-11,13,19-20,29H,1-2,5,12,14,25H2,(H,27,31)(H,28,30);1H/t19-,20+;/m1./s1
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MMDB

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n/an/a 3.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395082
PNG
(CHEMBL2164247)
Show SMILES CN(C)N(C)C(=O)CCC(O)=O
Show InChI InChI=1S/C7H14N2O3/c1-8(2)9(3)6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,11,12)
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50495472
PNG
(CHEMBL3108952)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C19H17N3O2.ClH/c20-16-10-15(16)11-3-5-12(6-4-11)22-19(24)14-7-8-17(23)18-13(14)2-1-9-21-18;/h1-9,15-16,23H,10,20H2,(H,22,24);1H/t15-,16+;/m0./s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
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