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Compile Data Set for Download or QSAR

Found 23 hits of ic50 data for polymerid = 50007060   
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 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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n/an/a 63n/an/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01537
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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n/an/a 100n/an/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
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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n/an/a 100n/an/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
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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n/an/a 200n/an/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153341
PNG
(CHEMBL3774845)
Show SMILES OC(=O)c1ccncc1NC(=O)CCCc1ccccc1
Show InChI InChI=1S/C16H16N2O3/c19-15(8-4-7-12-5-2-1-3-6-12)18-14-11-17-10-9-13(14)16(20)21/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)(H,20,21)
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n/an/a 251n/an/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4D


(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 316n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(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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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153340
PNG
(CHEMBL3775245)
Show SMILES OC(=O)c1ccncc1NC(=O)CCc1ccccc1
Show InChI InChI=1S/C15H14N2O3/c18-14(7-6-11-4-2-1-3-5-11)17-13-10-16-9-8-12(13)15(19)20/h1-5,8-10H,6-7H2,(H,17,18)(H,19,20)
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n/an/a 398n/an/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(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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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(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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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(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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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50122002
PNG
(CHEMBL1383671)
Show SMILES Nc1cnccc1C(O)=O
Show InChI InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)
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n/an/a 1.59E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153344
PNG
(CHEMBL3774975)
Show SMILES OC(=O)c1ccncc1NC(=O)c1ccccc1
Show InChI InChI=1S/C13H10N2O3/c16-12(9-4-2-1-3-5-9)15-11-8-14-7-6-10(11)13(17)18/h1-8H,(H,15,16)(H,17,18)
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n/an/a 1.59E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50122002
PNG
(CHEMBL1383671)
Show SMILES Nc1cnccc1C(O)=O
Show InChI InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketog...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketog...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50151393
PNG
(CHEMBL3775867)
Show SMILES Cc1cc(no1)C(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H13N3O5/c1-9-6-14(20-25-9)16(22)19-11-2-3-15(21)12(8-11)13-7-10(17(23)24)4-5-18-13/h2-8,21H,1H3,(H,19,22)(H,23,24)
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketog...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50151397
PNG
(CHEMBL3775272)
Show SMILES COc1cccc(CC(=O)Nc2ccc(O)c(c2)-c2cc(ccn2)C(O)=O)c1
Show InChI InChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketog...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50151392
PNG
(CHEMBL3775262)
Show SMILES OC(=O)c1ccnc(c1)-c1cc(NC(=O)c2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketog...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50151401
PNG
(CHEMBL3774598)
Show SMILES CC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C14H12N2O4/c1-8(17)16-10-2-3-13(18)11(7-10)12-6-9(14(19)20)4-5-15-12/h2-7,18H,1H3,(H,16,17)(H,19,20)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketog...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50149911
PNG
(CHEMBL3770732)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2ncccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-7-4-8-18-15(14)20-17(21-16)24-13-9-19-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,20,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4D (unknown origin) by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153320
PNG
(CHEMBL3774615)
Show SMILES OC(=O)c1cccnc1NCc1ccco1
Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-4-1-5-12-10(9)13-7-8-3-2-6-16-8/h1-6H,7H2,(H,12,13)(H,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50153321
PNG
(CHEMBL3774435)
Show SMILES Cc1ccsc1CNc1ncccc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-4-6-17-10(8)7-14-11-9(12(15)16)3-2-5-13-11/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



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)


Article DOI: 10.1021/acs.jmedchem.5b01537
BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair