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Compile Data Set for Download or QSAR

Found 15 hits of ic50 data for polymerid = 50006472   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
REST corepressor 1


(Homo sapiens)
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/s2
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n/an/a 6.5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155579
PNG
(CHEMBL3546846)
Show SMILES N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/s2
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n/an/a 19n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155763
PNG
(CHEMBL3780391)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)-c2ccoc2)cc1
Show InChI InChI=1/C20H18N2O2.ClH/c21-19-11-18(19)14-5-7-17(8-6-14)22-20(23)15-3-1-13(2-4-15)16-9-10-24-12-16;/h1-10,12,18-19H,11,21H2,(H,22,23);1H/t18-,19+;/s2
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n/an/a 23n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155766
PNG
(CHEMBL3780374)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(c2)N2CCOC2=O)cc1
Show InChI InChI=1/C19H19N3O3.ClH/c20-17-11-16(17)12-4-6-14(7-5-12)21-18(23)13-2-1-3-15(10-13)22-8-9-25-19(22)24;/h1-7,10,16-17H,8-9,11,20H2,(H,21,23);1H/t16-,17+;/s2
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n/an/a 28n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155767
PNG
(CHEMBL3780524)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOC2=O)cc1
Show InChI InChI=1/C19H19N3O3.ClH/c20-17-11-16(17)12-1-5-14(6-2-12)21-18(23)13-3-7-15(8-4-13)22-9-10-25-19(22)24;/h1-8,16-17H,9-11,20H2,(H,21,23);1H/t16-,17+;/s2
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n/an/a 34n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155764
PNG
(CHEMBL3780674)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1
Show InChI InChI=1/C24H23N3O3.ClH/c25-22-14-21(22)17-9-11-19(12-10-17)26-23(28)18-7-4-8-20(13-18)27-24(29)30-15-16-5-2-1-3-6-16;/h1-13,21-22H,14-15,25H2,(H,26,28)(H,27,29);1H/t21-,22+;/s2
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n/an/a 43n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155768
PNG
(CHEMBL3781494)
Show SMILES Cl.CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N
Show InChI InChI=1/C22H27N3O.ClH/c1-25-12-10-16(11-13-25)15-2-4-18(5-3-15)22(26)24-19-8-6-17(7-9-19)20-14-21(20)23;/h2-9,16,20-21H,10-14,23H2,1H3,(H,24,26);1H/t20-,21+;/s2
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n/an/a 51n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155769
PNG
(CHEMBL3780542)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)c(NC(=O)OCc3ccccc3)c2)cc1
Show InChI InChI=1/C28H30N4O4.ClH/c29-24-17-23(24)20-6-9-22(10-7-20)30-27(33)21-8-11-26(32-12-14-35-15-13-32)25(16-21)31-28(34)36-18-19-4-2-1-3-5-19;/h1-11,16,23-24H,12-15,17-18,29H2,(H,30,33)(H,31,34);1H/t23-,24+;/s2
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n/an/a 61n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155765
PNG
(CHEMBL3781329)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1
Show InChI InChI=1/C20H23N3O2.ClH/c21-19-13-18(19)14-1-5-16(6-2-14)22-20(24)15-3-7-17(8-4-15)23-9-11-25-12-10-23;/h1-8,18-19H,9-13,21H2,(H,22,24);1H/t18-,19+;/s2
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n/an/a 62n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155770
PNG
(CHEMBL3781885)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)c(c2)N2CCOCC2)cc1
Show InChI InChI=1/C28H30N4O4.ClH/c29-24-17-23(24)20-6-9-22(10-7-20)30-27(33)21-8-11-25(26(16-21)32-12-14-35-15-13-32)31-28(34)36-18-19-4-2-1-3-5-19;/h1-11,16,23-24H,12-15,17-18,29H2,(H,30,33)(H,31,34);1H/t23-,24+;/s2
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n/an/a 75n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155580
PNG
(CHEMBL3781125)
Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N
Show InChI InChI=1/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/s2
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n/an/a 84n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155771
PNG
(CHEMBL3781560)
Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1NC(=O)OCc1ccccc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N
Show InChI InChI=1/C29H33N5O3.2ClH/c1-33-13-15-34(16-14-33)27-12-9-22(17-26(27)32-29(36)37-19-20-5-3-2-4-6-20)28(35)31-23-10-7-21(8-11-23)24-18-25(24)30;;/h2-12,17,24-25H,13-16,18-19,30H2,1H3,(H,31,35)(H,32,36);2*1H/t24-,25+;;/s2
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n/an/a 89n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155580
PNG
(CHEMBL3781125)
Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N
Show InChI InChI=1/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/s2
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n/an/a 189n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155581
PNG
(CHEMBL3781124)
Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/s2
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n/an/a 230n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155772
PNG
(CHEMBL3780774)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCCCC3)c(NC(=O)OCc3ccccc3)c2)cc1
Show InChI InChI=1/C29H32N4O3.ClH/c30-25-18-24(25)21-9-12-23(13-10-21)31-28(34)22-11-14-27(33-15-5-2-6-16-33)26(17-22)32-29(35)36-19-20-7-3-1-4-8-20;/h1,3-4,7-14,17,24-25H,2,5-6,15-16,18-19,30H2,(H,31,34)(H,32,35);1H/t24-,25+;/s2
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n/an/a 308n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


Citation and Details
More data for this
Ligand-Target Pair