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Compile Data Set for Download or QSAR

Found 1413 hits of ic50 for UniProtKB: Q9UGL1   
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
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM264020
PNG
(2-[5-[(4- cyanophenyl)methoxy]pyrazol-1- yl]pyridi...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(cc1)C#N
Show InChI InChI=1S/C17H12N4O3/c18-10-12-1-3-13(4-2-12)11-24-16-6-8-20-21(16)15-9-14(17(22)23)5-7-19-15/h1-9H,11H2,(H,22,23)
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n/an/a 0.600n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM263974
PNG
(2-(5-(benzyloxy)-1H-pyrazol-1- yl)isonicotinic aci...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccccc1
Show InChI InChI=1S/C16H13N3O3/c20-16(21)13-6-8-17-14(10-13)19-15(7-9-18-19)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM264012
PNG
(2-[5-[(4-chloro-2- methoxyphenyl)methoxy]pyrazol- ...)
Show SMILES COc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O4/c1-24-14-9-13(18)3-2-12(14)10-25-16-5-7-20-21(16)15-8-11(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM264025
PNG
(2-(4-[2-(dimethylamino)ethyl]- 5-[(4- fluorophenyl...)
Show SMILES CN(C)CCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C20H21FN4O3/c1-24(2)10-8-16-12-23-25(18-11-15(20(26)27)7-9-22-18)19(16)28-13-14-3-5-17(21)6-4-14/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,26,27)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50532176
PNG
(CHEMBL4542928)
Show SMILES CCCCCCN(C)CCc1ccc(cc1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
Show InChI InChI=1S/C25H33N5O/c1-5-6-7-8-14-29(4)15-13-19-9-11-20(12-10-19)23-22(18(2)3)25(31)30-24(28-23)21(16-26)17-27-30/h9-12,17-18,28H,5-8,13-15H2,1-4H3
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n/an/a 1.30n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal FLAG/His-tagged KDM5B (2 to 751 residues) expressed in baculovirus infected Sf9 insect cells using H3(1-21)K4(Me3)-GGK...


Bioorg Med Chem 27: 1119-1129 (2019)


Article DOI: 10.1016/j.bmc.2019.02.006
BindingDB Entry DOI: 10.7270/Q2668HPR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM191600
PNG
(2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...)
Show SMILES Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM263992
PNG
(2-{5-[(4-bromobenzyl)oxy]-1H- pyrazol-1-yl}pyridin...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C16H12BrN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(H,21,22)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM191600
PNG
(2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...)
Show SMILES Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00797
BindingDB Entry DOI: 10.7270/Q2GX4GJR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay


Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM263991
PNG
(2-{5-[(4-ethylbenzyl)oxy]- 1H-pyrazol-1-yl}pyridin...)
Show SMILES CCc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1
Show InChI InChI=1S/C18H17N3O3/c1-2-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(18(22)23)7-9-19-16/h3-11H,2,12H2,1H3,(H,22,23)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00797
BindingDB Entry DOI: 10.7270/Q2GX4GJR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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n/an/a 3n/an/an/an/a7.0n/a



Genentech Inc



Assay Description
Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay


Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM264001
PNG
(2-{5-[(4-chloro-2- fluorobenzyl)oxy]-1H-pyrazol-1-...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1F
Show InChI InChI=1S/C16H11ClFN3O3/c17-12-2-1-11(13(18)8-12)9-24-15-4-6-20-21(15)14-7-10(16(22)23)3-5-19-14/h1-8H,9H2,(H,22,23)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...


Nat Chem Biol 12: 539-45 (2016)


Article DOI: 10.1038/nchembio.2087
BindingDB Entry DOI: 10.7270/Q27P8X6K
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM263975
PNG
(2-{5-[(4-fluorobenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(F)cc1
Show InChI InChI=1S/C16H12FN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(H,21,22)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM264021
PNG
(2-[5-[(4-chloro-2- phenylmethoxyphenyl)methoxy] py...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCc1ccccc1
Show InChI InChI=1S/C23H18ClN3O4/c24-19-7-6-18(20(13-19)30-14-16-4-2-1-3-5-16)15-31-22-9-11-26-27(22)21-12-17(23(28)29)8-10-25-21/h1-13H,14-15H2,(H,28,29)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM263978
PNG
(2-{5-[(4-methoxybenzyl)oxy]-1H- pyrazol-1-yl}pyrid...)
Show SMILES COc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1
Show InChI InChI=1S/C17H15N3O4/c1-23-14-4-2-12(3-5-14)11-24-16-7-9-19-20(16)15-10-13(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158703
PNG
(CHEMBL3785832 | US10173996, Example 53 | US9604961...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(H,21,22)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM263990
PNG
(2-{5-[(4-methylbenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)
Show SMILES Cc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1
Show InChI InChI=1S/C17H15N3O3/c1-12-2-4-13(5-3-12)11-23-16-7-9-19-20(16)15-10-14(17(21)22)6-8-18-15/h2-10H,11H2,1H3,(H,21,22)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM264030
PNG
(2-[5-[(4-chloro-2- ethoxyphenyl)methoxy]pyrazol-1-...)
Show SMILES CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16ClN3O4/c1-2-25-15-10-14(19)4-3-13(15)11-26-17-6-8-21-22(17)16-9-12(18(23)24)5-7-20-16/h3-10H,2,11H2,1H3,(H,23,24)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158830
PNG
(CHEMBL3785583)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C
Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
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n/an/a 4.70n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin)


Eur J Med Chem 161: 131-140 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.040
BindingDB Entry DOI: 10.7270/Q2RB7853
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158830
PNG
(CHEMBL3785583)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C
Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
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n/an/a 4.70n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158830
PNG
(CHEMBL3785583)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C
Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
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n/an/a 4.70n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50513343
PNG
(CHEMBL4449500)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1
Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32)
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n/an/a 5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as subst...


Eur J Med Chem 177: 316-337 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492438
PNG
(5-(1-tert-butyl-1H- pyrazol-4-yl)-6-(1- methylethy...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(c1)C(C)(C)C
Show InChI InChI=1S/C15H20N6O/c1-9(2)11-12(10-6-17-20(7-10)15(3,4)5)19-14-16-8-18-21(14)13(11)22/h6-9H,1-5H3,(H,16,18,19)
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n/an/a 5.08n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492449
PNG
(6-(1-methylethyl)-5-[1- (2-methylpropyl)-1H- pyraz...)
Show SMILES CC(C)Cn1cc(cn1)-c1[nH]c2ncnn2c(=O)c1C(C)C
Show InChI InChI=1S/C15H20N6O/c1-9(2)6-20-7-11(5-17-20)13-12(10(3)4)14(22)21-15(19-13)16-8-18-21/h5,7-10H,6H2,1-4H3,(H,16,18,19)
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n/an/a 5.08n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492457
PNG
(6-(1-methylethyl)-5-[1- (1-methylethyl)-1H-pyrazol...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(c1)C(C)C
Show InChI InChI=1S/C14H18N6O/c1-8(2)11-12(10-5-16-19(6-10)9(3)4)18-14-15-7-17-20(14)13(11)21/h5-9H,1-4H3,(H,15,17,18)
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n/an/a 5.08n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492451
PNG
(5-[1- (cyclopropylmethyl)-1H- pyrazol-4-yl]-6-(1- ...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(CC2CC2)c1
Show InChI InChI=1S/C15H18N6O/c1-9(2)12-13(19-15-16-8-18-21(15)14(12)22)11-5-17-20(7-11)6-10-3-4-10/h5,7-10H,3-4,6H2,1-2H3,(H,16,18,19)
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n/an/a 5.08n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492450
PNG
(5-{1-[(1- fluorocyclopentyl)methyl]- 1H-pyrazol-4-...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(CC2(F)CCCC2)c1
Show InChI InChI=1S/C17H21FN6O/c1-11(2)13-14(22-16-19-10-21-24(16)15(13)25)12-7-20-23(8-12)9-17(18)5-3-4-6-17/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,21,22)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492546
PNG
(5-(1-cyclobutyl-1H- pyrazol-4-yl)-6-(1- methylethy...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(c1)C1CCC1
Show InChI InChI=1S/C15H18N6O/c1-9(2)12-13(19-15-16-8-18-21(15)14(12)22)10-6-17-20(7-10)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,16,18,19)
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n/an/a 5.08n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492544
PNG
(5-[1-(2-hydroxy-1,1- dimethylethyl)-1H- pyrazol-4-...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(c1)C(C)(C)CO
Show InChI InChI=1S/C15H20N6O2/c1-9(2)11-12(19-14-16-8-18-21(14)13(11)23)10-5-17-20(6-10)15(3,4)7-22/h5-6,8-9,22H,7H2,1-4H3,(H,16,18,19)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492545
PNG
(6-(1-methylethyl)-5-[5- (morpholin-4- ylmethyl)thi...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1ccc(CN2CCOCC2)s1
Show InChI InChI=1S/C17H21N5O2S/c1-11(2)14-15(20-17-18-10-19-22(17)16(14)23)13-4-3-12(25-13)9-21-5-7-24-8-6-21/h3-4,10-11H,5-9H2,1-2H3,(H,18,19,20)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492458
PNG
(6-(1-methylethyl)-5-(1- propyl-1H-pyrazol-4- yl)[1...)
Show SMILES CCCn1cc(cn1)-c1[nH]c2ncnn2c(=O)c1C(C)C
Show InChI InChI=1S/C14H18N6O/c1-4-5-19-7-10(6-16-19)12-11(9(2)3)13(21)20-14(18-12)15-8-17-20/h6-9H,4-5H2,1-3H3,(H,15,17,18)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492571
PNG
(5-(1-tert-butyl-1H-pyrrol- 3-yl)-6-(1- methylethyl...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1ccn(c1)C(C)(C)C
Show InChI InChI=1S/C16H21N5O/c1-10(2)12-13(11-6-7-20(8-11)16(3,4)5)19-15-17-9-18-21(15)14(12)22/h6-10H,1-5H3,(H,17,18,19)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492439
PNG
(5-[1-(3-methylbutyl)-1H- pyrazol-4-yl]-6-(1- methy...)
Show SMILES CC(C)CCn1cc(cn1)-c1[nH]c2ncnn2c(=O)c1C(C)C
Show InChI InChI=1S/C16H22N6O/c1-10(2)5-6-21-8-12(7-18-21)14-13(11(3)4)15(23)22-16(20-14)17-9-19-22/h7-11H,5-6H2,1-4H3,(H,17,19,20)
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n/an/a 5.22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492529
PNG
(5-[1-(2-methoxy-1,1- dimethylethyl)-1H- pyrazol-4-...)
Show SMILES COCC(C)(C)n1cc(cn1)-c1[nH]c2ncnn2c(=O)c1C(C)C
Show InChI InChI=1S/C16H22N6O2/c1-10(2)12-13(20-15-17-9-19-22(15)14(12)23)11-6-18-21(7-11)16(3,4)8-24-5/h6-7,9-10H,8H2,1-5H3,(H,17,19,20)
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n/an/a 5.29n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492453
PNG
(5-[1-(2-methoxyethyl)- 1H-pyrazol-4-yl]-6-(1- meth...)
Show SMILES COCCn1cc(cn1)-c1[nH]c2ncnn2c(=O)c1C(C)C
Show InChI InChI=1S/C14H18N6O2/c1-9(2)11-12(10-6-16-19(7-10)4-5-22-3)18-14-15-8-17-20(14)13(11)21/h6-9H,4-5H2,1-3H3,(H,15,17,18)
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n/an/a 5.73n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492455
PNG
(5-(1-cyclopropyl-1H- pyrazol-4-yl)-6-(1- methyleth...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C14H16N6O/c1-8(2)11-12(9-5-16-19(6-9)10-3-4-10)18-14-15-7-17-20(14)13(11)21/h5-8,10H,3-4H2,1-2H3,(H,15,17,18)
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n/an/a 5.74n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492477
PNG
(6-(1-methylethyl)-5-[1- (pyridin-3-ylmethyl)-1H- p...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(Cc2cccnc2)c1
Show InChI InChI=1S/C17H17N7O/c1-11(2)14-15(22-17-19-10-21-24(17)16(14)25)13-7-20-23(9-13)8-12-4-3-5-18-6-12/h3-7,9-11H,8H2,1-2H3,(H,19,21,22)
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n/an/a 5.77n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492476
PNG
(6-(1-methylethyl)-5-[1- (pyridin-2-ylmethyl)-1H- p...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(Cc2ccccn2)c1
Show InChI InChI=1S/C17H17N7O/c1-11(2)14-15(22-17-19-10-21-24(17)16(14)25)12-7-20-23(8-12)9-13-5-3-4-6-18-13/h3-8,10-11H,9H2,1-2H3,(H,19,21,22)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM264022
PNG
(2-[5-[[4-chloro-2- (cyclopropylmethoxy(phenyl] met...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCC1CC1
Show InChI InChI=1S/C20H18ClN3O4/c21-16-4-3-15(17(10-16)27-11-13-1-2-13)12-28-19-6-8-23-24(19)18-9-14(20(25)26)5-7-22-18/h3-10,13H,1-2,11-12H2,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



University of Oxford



Assay Description
We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...


Cell Chem Biol 24: 371-380 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.006
BindingDB Entry DOI: 10.7270/Q23N2288
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50513345
PNG
(CHEMBL4438830)
Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35)
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n/an/a 6n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG...


Eur J Med Chem 177: 316-337 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492456
PNG
(5-(1-ethyl-1H-pyrazol-4- yl)-6-(1- methylethyl)[1,...)
Show SMILES CCn1cc(cn1)-c1[nH]c2ncnn2c(=O)c1C(C)C
Show InChI InChI=1S/C13H16N6O/c1-4-18-6-9(5-15-18)11-10(8(2)3)12(20)19-13(17-11)14-7-16-19/h5-8H,4H2,1-3H3,(H,14,16,17)
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n/an/a 6.27n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492445
PNG
(6-(1-methylethyl)-5-(1- phenyl-1H-pyrazol-4- yl)[1...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C17H16N6O/c1-11(2)14-15(21-17-18-10-20-23(17)16(14)24)12-8-19-22(9-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,20,21)
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n/an/a 6.28n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492454
PNG
(5-[1-(4-fluorophenyl)- 1H-pyrazol-4-yl]-6-(1- meth...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN6O/c1-10(2)14-15(22-17-19-9-21-24(17)16(14)25)11-7-20-23(8-11)13-5-3-12(18)4-6-13/h3-10H,1-2H3,(H,19,21,22)
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n/an/a 6.47n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492547
PNG
(6-(1-methylethyl)-5-[1- (thiophen-2-ylmethyl)- 1H-...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(Cc2cccs2)c1
Show InChI InChI=1S/C16H16N6OS/c1-10(2)13-14(20-16-17-9-19-22(16)15(13)23)11-6-18-21(7-11)8-12-4-3-5-24-12/h3-7,9-10H,8H2,1-2H3,(H,17,19,20)
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n/an/a 6.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492560
PNG
(6-(1-methylethyl)-5-(2- oxo-2,3-dihydro-1H- indol-...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C16H15N5O2/c1-8(2)13-14(20-16-17-7-18-21(16)15(13)23)9-3-4-11-10(5-9)6-12(22)19-11/h3-5,7-8H,6H2,1-2H3,(H,19,22)(H,17,18,20)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM492484
PNG
(6-(1-methylethyl)-5-{1- [2-(methylsulfonyl)ethyl]-...)
Show SMILES CC(C)c1c([nH]c2ncnn2c1=O)-c1cnn(CCS(C)(=O)=O)c1
Show InChI InChI=1S/C14H18N6O3S/c1-9(2)11-12(18-14-15-8-17-20(14)13(11)21)10-6-16-19(7-10)4-5-24(3,22)23/h6-9H,4-5H2,1-3H3,(H,15,17,18)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay ...


US Patent US10975084 (2021)


BindingDB Entry DOI: 10.7270/Q2K64N61
More data for this
Ligand-Target Pair
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