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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'conte' and Initial = 'm'   
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 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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50130725
PNG
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6|
Show InChI InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)
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n/an/a 50n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using GSM as substrate incubated for 30 mins by luminescence based assay


ACS Med Chem Lett 10: 469-474 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00507
BindingDB Entry DOI: 10.7270/Q2HD805P
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 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 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 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 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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n/an/a 600n/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 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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n/an/a<1.00E+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
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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n/an/a<1.00E+3n/an/an/an/an/an/a



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))
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
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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n/an/a 1.10E+3n/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 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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n/an/a 1.20E+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 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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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))
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 deacetylase 1


(Homo sapiens (Human))
BDBM50535403
PNG
(CHEMBL4590543)
Show SMILES ONC(=O)CCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C13H14N4O4S/c18-10(17-21)2-1-5-14-13(22)15-7-3-4-8-9(6-7)12(20)16-11(8)19/h3-4,6,21H,1-2,5H2,(H,17,18)(H2,14,15,22)(H,16,19,20)
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n/an/a 2.24E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus infected Sf6 insect cells using tertbutyloxycarbonyl (Boc)-(Ac)-Lys-7-amino...


ACS Med Chem Lett 10: 469-474 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00507
BindingDB Entry DOI: 10.7270/Q2HD805P
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))
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50535402
PNG
(CHEMBL4449010)
Show SMILES ONC(=O)CCCCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C15H18N4O4S/c20-12(19-23)4-2-1-3-7-16-15(24)17-9-5-6-10-11(8-9)14(22)18-13(10)21/h5-6,8,23H,1-4,7H2,(H,19,20)(H2,16,17,24)(H,18,21,22)
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n/an/a 2.69E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using GSM as substrate incubated for 30 mins by luminescence based assay


ACS Med Chem Lett 10: 469-474 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00507
BindingDB Entry DOI: 10.7270/Q2HD805P
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 deacetylase 6


(Homo sapiens (Human))
BDBM50535402
PNG
(CHEMBL4449010)
Show SMILES ONC(=O)CCCCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C15H18N4O4S/c20-12(19-23)4-2-1-3-7-16-15(24)17-9-5-6-10-11(8-9)14(22)18-13(10)21/h5-6,8,23H,1-4,7H2,(H,19,20)(H2,16,17,24)(H,18,21,22)
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n/an/a 3.19E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his tagged HDAC6 expressed in baculovirus infected Sf6 insect cells using batcp as substrate incubated for 1 hr by fl...


ACS Med Chem Lett 10: 469-474 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00507
BindingDB Entry DOI: 10.7270/Q2HD805P
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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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 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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50535401
PNG
(CHEMBL4443876)
Show SMILES ONC(=O)CCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C12H12N4O4S/c17-9(16-20)3-4-13-12(21)14-6-1-2-7-8(5-6)11(19)15-10(7)18/h1-2,5,20H,3-4H2,(H,16,17)(H2,13,14,21)(H,15,18,19)
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n/an/a 3.75E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus infected Sf6 insect cells using tertbutyloxycarbonyl (Boc)-(Ac)-Lys-7-amino...


ACS Med Chem Lett 10: 469-474 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00507
BindingDB Entry DOI: 10.7270/Q2HD805P
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50535400
PNG
(CHEMBL4575045)
Show SMILES ONC(=O)CCCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C14H16N4O4S/c19-11(18-22)3-1-2-6-15-14(23)16-8-4-5-9-10(7-8)13(21)17-12(9)20/h4-5,7,22H,1-3,6H2,(H,18,19)(H2,15,16,23)(H,17,20,21)
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n/an/a 4.11E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using GSM as substrate incubated for 30 mins by luminescence based assay


ACS Med Chem Lett 10: 469-474 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00507
BindingDB Entry DOI: 10.7270/Q2HD805P
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(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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n/an/a 4.50E+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] A


(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 4.50E+3n/an/an/an/an/an/a



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 demethylase 2A


(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 4.80E+3n/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 4E


(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 5.00E+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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50535400
PNG
(CHEMBL4575045)
Show SMILES ONC(=O)CCCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C14H16N4O4S/c19-11(18-22)3-1-2-6-15-14(23)16-8-4-5-9-10(7-8)13(21)17-12(9)20/h4-5,7,22H,1-3,6H2,(H,18,19)(H2,15,16,23)(H,17,20,21)
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n/an/a 5.02E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus infected Sf6 insect cells using tertbutyloxycarbonyl (Boc)-(Ac)-Lys-7-amino...


ACS Med Chem Lett 10: 469-474 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00507
BindingDB Entry DOI: 10.7270/Q2HD805P
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(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 5.10E+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))
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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n/an/a 5.50E+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))
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 7.80E+3n/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))
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 8.20E+3n/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
Egl nine homolog 1


(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 8.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by mass spectrometry


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))
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 8.50E+3n/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
Amine oxidase [flavin-containing] A


(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 8.90E+3n/an/an/an/an/an/a



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 demethylase 3A


(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 9.10E+3n/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 3A


(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 9.70E+3n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50535403
PNG
(CHEMBL4590543)
Show SMILES ONC(=O)CCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C13H14N4O4S/c18-10(17-21)2-1-5-14-13(22)15-7-3-4-8-9(6-7)12(20)16-11(8)19/h3-4,6,21H,1-2,5H2,(H,17,18)(H2,14,15,22)(H,16,19,20)
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n/an/a 9.85E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using GSM as substrate incubated for 30 mins by luminescence based assay


ACS Med Chem Lett 10: 469-474 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00507
BindingDB Entry DOI: 10.7270/Q2HD805P
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(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 1.12E+4n/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
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