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Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'leveridge' 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
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148456
PNG
(CHEMBL3770188)
Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H25N3O5S2/c1-25-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(25)26)11-19(31-20)21(23)24-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H2,23,24)
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148387
PNG
(CHEMBL3769944)
Show SMILES CN(C)c1cccc(c1)-c1cn(C)c(=O)c2cc(sc12)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H26N4O3S2/c1-25(2)16-6-4-5-14(11-16)18-13-26(3)22(27)17-12-19(30-20(17)18)21(23)24-15-7-9-31(28,29)10-8-15/h4-6,11-13,15H,7-10H2,1-3H3,(H2,23,24)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148459
PNG
(CHEMBL3769688)
Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=O)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148386
PNG
(CHEMBL3769855)
Show SMILES COc1cccc(c1)-c1cn(C)c(=O)c2cc(sc12)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C21H23N3O4S2/c1-24-12-17(13-4-3-5-15(10-13)28-2)19-16(21(24)25)11-18(29-19)20(22)23-14-6-8-30(26,27)9-7-14/h3-5,10-12,14H,6-9H2,1-2H3,(H2,22,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148385
PNG
(CHEMBL3770949)
Show SMILES Cn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C21H20F3N3O3S2/c1-27-11-16(12-3-2-4-13(9-12)21(22,23)24)18-15(20(27)28)10-17(31-18)19(25)26-14-5-7-32(29,30)8-6-14/h2-4,9-11,14H,5-8H2,1H3,(H2,25,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148375
PNG
(CHEMBL3769628)
Show SMILES Cn1cc(-c2cccc(c2)C#N)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C21H20N4O3S2/c1-25-12-17(14-4-2-3-13(9-14)11-22)19-16(21(25)26)10-18(29-19)20(23)24-15-5-7-30(27,28)8-6-15/h2-4,9-10,12,15H,5-8H2,1H3,(H2,23,24)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50153318
PNG
(CHEMBL3775237)
Show SMILES OC(=O)c1ccncc1NCc1ccco1
Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148457
PNG
(CHEMBL3769509)
Show SMILES Cn1cc(-c2ccccc2)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H21N3O3S2/c1-23-12-16(13-5-3-2-4-6-13)18-15(20(23)24)11-17(27-18)19(21)22-14-7-9-28(25,26)10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H2,21,22)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50153322
PNG
(CHEMBL3775612)
Show SMILES OC(=O)c1ccncc1NCc1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50147620
PNG
(CHEMBL3769507)
Show SMILES CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50153319
PNG
(CHEMBL3775889)
Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148459
PNG
(CHEMBL3769688)
Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=O)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153322
PNG
(CHEMBL3775612)
Show SMILES OC(=O)c1ccncc1NCc1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153330
PNG
(CHEMBL3774859)
Show SMILES OC(=O)c1ccncc1NCc1cccs1
Show InChI InChI=1S/C11H10N2O2S/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM195612
PNG
(GSK467)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM5C catalytic domain (1 -764 aa) (unknown origin) expressed in Sf9 cells using H3K4Me3 peptide as substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153331
PNG
(CHEMBL3774552)
Show SMILES OC(=O)c1ccncc1NCc1ccsc1
Show InChI InChI=1S/C11H10N2O2S/c14-11(15)9-1-3-12-6-10(9)13-5-8-2-4-16-7-8/h1-4,6-7,13H,5H2,(H,14,15)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153319
PNG
(CHEMBL3775889)
Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50149917
PNG
(CHEMBL3771198)
Show SMILES O=c1[nH]c(Oc2cnn(CC3CCCCC3)c2)nc2cnccc12
Show InChI InChI=1S/C23H21BrN4O6S/c1-34-23(31)18(12-21(29)28-20-11-10-16(24)13-26-20)27-22(30)15-8-6-14(7-9-15)17-4-2-3-5-19(17)35(25,32)33/h2-11,13,18H,12H2,1H3,(H,27,30)(H2,25,32,33)(H,26,28,29)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM5C catalytic domain (1 -764 aa) (unknown origin) expressed in Sf9 cells using H3K4Me3 peptide as substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50147620
PNG
(CHEMBL3769507)
Show SMILES CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 in human HUT78 cells incubated for 45 mins by chemoproteomic competition binding assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153318
PNG
(CHEMBL3775237)
Show SMILES OC(=O)c1ccncc1NCc1ccco1
Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148388
PNG
(CHEMBL3770367)
Show SMILES CNC(=N)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H19N3O3S/c1-20-17(19)15-8-11-16(25-15)12(9-21(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H2,19,20)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153319
PNG
(CHEMBL3775889)
Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50153318
PNG
(CHEMBL3775237)
Show SMILES OC(=O)c1ccncc1NCc1ccco1
Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM5C catalytic domain (1 to 764 residues) (unknown origin) expressed in Baculovirus-infected insect Sf9 cells using H3K4Me3 peptide as...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153318
PNG
(CHEMBL3775237)
Show SMILES OC(=O)c1ccncc1NCc1ccco1
Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153319
PNG
(CHEMBL3775889)
Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153335
PNG
(CHEMBL3775834)
Show SMILES Cc1csc(CNc2cnccc2C(O)=O)c1
Show InChI InChI=1S/C12H12N2O2S/c1-8-4-9(17-7-8)5-14-11-6-13-3-2-10(11)12(15)16/h2-4,6-7,14H,5H2,1H3,(H,15,16)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153332
PNG
(CHEMBL3775439)
Show SMILES OC(=O)c1ccncc1NCc1cscn1
Show InChI InChI=1S/C10H9N3O2S/c14-10(15)8-1-2-11-4-9(8)12-3-7-5-16-6-13-7/h1-2,4-6,12H,3H2,(H,14,15)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153322
PNG
(CHEMBL3775612)
Show SMILES OC(=O)c1ccncc1NCc1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153318
PNG
(CHEMBL3775237)
Show SMILES OC(=O)c1ccncc1NCc1ccco1
Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50153319
PNG
(CHEMBL3775889)
Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM5C catalytic domain (1 to 764 residues) (unknown origin) expressed in Baculovirus-infected insect Sf9 cells using H3K4Me3 peptide as...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153348
PNG
(CHEMBL3774403)
Show SMILES CCCCNc1cnccc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-2-3-5-12-9-7-11-6-4-8(9)10(13)14/h4,6-7,12H,2-3,5H2,1H3,(H,13,14)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50149925
PNG
(CHEMBL3770740)
Show SMILES Oc1cc(Oc2nc3cnccc3c(=O)[nH]2)ccc1Cl
Show InChI InChI=1S/C28H30BrN5O5S/c29-21-13-14-25(31-18-21)33-26(35)17-23(28(37)34-15-5-1-2-6-16-34)32-27(36)20-11-9-19(10-12-20)22-7-3-4-8-24(22)40(30,38)39/h3-4,7-14,18,23H,1-2,5-6,15-17H2,(H,32,36)(H2,30,38,39)(H,31,33,35)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153329
PNG
(CHEMBL3775957)
Show SMILES OC(=O)c1ccncc1NCC1CC1
Show InChI InChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-6-9(8)12-5-7-1-2-7/h3-4,6-7,12H,1-2,5H2,(H,13,14)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153333
PNG
(CHEMBL3775716)
Show SMILES OC(=O)c1ccncc1NCc1ccn[nH]1
Show InChI InChI=1S/C10H10N4O2/c15-10(16)8-2-3-11-6-9(8)12-5-7-1-4-13-14-7/h1-4,6,12H,5H2,(H,13,14)(H,15,16)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153351
PNG
(CHEMBL3774834)
Show SMILES OC(=O)c1ccncc1NCC1CCCCC1
Show InChI InChI=1S/C13H18N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h6-7,9-10,15H,1-5,8H2,(H,16,17)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50153322
PNG
(CHEMBL3775612)
Show SMILES OC(=O)c1ccncc1NCc1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50149920
PNG
(CHEMBL3769724)
Show SMILES O=c1[nH]c(Oc2cnn(c2)C2CCCC2)nc2cnccc12
Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m1/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM5C catalytic domain (1 -764 aa) (unknown origin) expressed in Sf9 cells using H3K4Me3 peptide as substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50149924
PNG
(CHEMBL3769511)
Show SMILES CC(C)c1ccc(Oc2nc3cnccc3c(=O)[nH]2)cn1
Show InChI InChI=1S/C22H20ClN3O4S/c23-17-9-5-16(6-10-17)22(28)25-14-13-21(27)26-18-11-7-15(8-12-18)19-3-1-2-4-20(19)31(24,29)30/h1-12H,13-14H2,(H,25,28)(H,26,27)(H2,24,29,30)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM5C catalytic domain (1 -764 aa) (unknown origin) expressed in Sf9 cells using H3K4Me3 peptide as substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148458
PNG
(CHEMBL3770039)
Show SMILES CNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50147620
PNG
(CHEMBL3769507)
Show SMILES CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to BRD9 (amino acids 120-240) (unknown origin) assessed as displacememnt of NanoLuc-tagged BRD9 from Halo-tagged histone H3.3 expres...


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153324
PNG
(CHEMBL3774408)
Show SMILES OC(=O)c1ccncc1NCCCCc1ccccc1
Show InChI InChI=1S/C16H18N2O2/c19-16(20)14-9-11-17-12-15(14)18-10-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9,11-12,18H,4-5,8,10H2,(H,19,20)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153347
PNG
(CHEMBL3775952)
Show SMILES CC(C)CNc1cnccc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-7(2)5-12-9-6-11-4-3-8(9)10(13)14/h3-4,6-7,12H,5H2,1-2H3,(H,13,14)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153350
PNG
(CHEMBL3774399)
Show SMILES OC(=O)c1ccncc1NCCCc1ccccc1
Show InChI InChI=1S/C15H16N2O2/c18-15(19)13-8-10-16-11-14(13)17-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11,17H,4,7,9H2,(H,18,19)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50147621
PNG
(CHEMBL3769979)
Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C22H25N3O6S2/c1-23-13-16(14-5-6-17(30-2)18(11-14)31-3)20-15(21(23)26)12-19(32-20)22(27)24-7-9-25(10-8-24)33(4,28)29/h5-6,11-13H,7-10H2,1-4H3
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 in human HUT78 cells incubated for 45 mins by chemoproteomic competition binding assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148458
PNG
(CHEMBL3770039)
Show SMILES CNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50149926
PNG
(CHEMBL3770723)
Show SMILES Oc1cccc(Oc2nc3cnccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C21H19ClN4O4S/c22-16-9-10-19(25-13-16)26-20(27)11-12-24-21(28)15-7-5-14(6-8-15)17-3-1-2-4-18(17)31(23,29)30/h1-10,13H,11-12H2,(H,24,28)(H2,23,29,30)(H,25,26,27)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human KDM4C expressed in Escherichia coli BL21(DE3) using trimethylated peptide substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50149925
PNG
(CHEMBL3770740)
Show SMILES Oc1cc(Oc2nc3cnccc3c(=O)[nH]2)ccc1Cl
Show InChI InChI=1S/C28H30BrN5O5S/c29-21-13-14-25(31-18-21)33-26(35)17-23(28(37)34-15-5-1-2-6-16-34)32-27(36)20-11-9-19(10-12-20)22-7-3-4-8-24(22)40(30,38)39/h3-4,7-14,18,23H,1-2,5-6,15-17H2,(H,32,36)(H2,30,38,39)(H,31,33,35)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM5C catalytic domain (1 -764 aa) (unknown origin) expressed in Sf9 cells using H3K4Me3 peptide as substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153339
PNG
(CHEMBL3775431)
Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C14H12N2O3/c17-13(8-10-4-2-1-3-5-10)16-12-9-15-7-6-11(12)14(18)19/h1-7,9H,8H2,(H,16,17)(H,18,19)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153334
PNG
(CHEMBL3774545 | US10179769, Example 39 | US9611221...)
Show SMILES Cc1ccc(CNc2cnccc2C(O)=O)s1
Show InChI InChI=1S/C12H12N2O2S/c1-8-2-3-9(17-8)6-14-11-7-13-5-4-10(11)12(15)16/h2-5,7,14H,6H2,1H3,(H,15,16)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50153328
PNG
(CHEMBL3775175)
Show SMILES OC(=O)c1ccncc1NCC1CCCC1
Show InChI InChI=1S/C12H16N2O2/c15-12(16)10-5-6-13-8-11(10)14-7-9-3-1-2-4-9/h5-6,8-9,14H,1-4,7H2,(H,15,16)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
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