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Compile Data Set for Download or QSAR

Found 109 hits Enz. Inhib. hit(s) with all data for entry = 50002665   
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 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))
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))
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))
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))
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 5A


(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 KDM5A (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))
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))
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))
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))
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))
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 5A


(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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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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))
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 4C


(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 KDM4C (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 5A


(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 KDM5A (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))
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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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))
BDBM264003
PNG
(2-{5-[(4-cyclopropylbenzyl)oxy]- 1H-pyrazol-1-yl}p...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(cc1)C1CC1
Show InChI InChI=1S/C19H17N3O3/c23-19(24)16-7-9-20-17(11-16)22-18(8-10-21-22)25-12-13-1-3-14(4-2-13)15-5-6-15/h1-4,7-11,15H,5-6,12H2,(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 5A


(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 KDM5A (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 5A


(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 KDM5A (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
3D
3D Structure (crystal)
Lysine-specific demethylase 4C


(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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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (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 5A


(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 KDM5A (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 5A


(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 KDM5A (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 4C


(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 KDM4C (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 5A


(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 KDM5A (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))
BDBM263976
PNG
(2-{5-[(3-fluorobenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1cccc(F)c1
Show InChI InChI=1S/C16H12FN3O3/c17-13-3-1-2-11(8-13)10-23-15-5-7-19-20(15)14-9-12(16(21)22)4-6-18-14/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 4C


(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 KDM4C (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))
BDBM264007
PNG
(2-[4-ethyl-5-[(4- fluorophenyl)methoxy]pyrazol-1- ...)
Show SMILES CCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16FN3O3/c1-2-13-10-21-22(16-9-14(18(23)24)7-8-20-16)17(13)25-11-12-3-5-15(19)6-4-12/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 5A


(Homo sapiens (Human))
BDBM264007
PNG
(2-[4-ethyl-5-[(4- fluorophenyl)methoxy]pyrazol-1- ...)
Show SMILES CCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16FN3O3/c1-2-13-10-21-22(16-9-14(18(23)24)7-8-20-16)17(13)25-11-12-3-5-15(19)6-4-12/h3-10H,2,11H2,1H3,(H,23,24)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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 5A


(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 KDM5A (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 5A


(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 KDM5A (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 4C


(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 KDM4C (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 5A


(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 KDM5A (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 4C


(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 KDM4C (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))
BDBM264004
PNG
(2-[5-[1-(4- fluorophenyl)ethoxy]pyrazol-1- yl]pyri...)
Show SMILES CC(Oc1ccnn1-c1cc(ccn1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H14FN3O3/c1-11(12-2-4-14(18)5-3-12)24-16-7-9-20-21(16)15-10-13(17(22)23)6-8-19-15/h2-11H,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))
BDBM263994
PNG
(2-{5-[(2-fluorobenzyl)oxy]-1H- pyrazol-1-yl}pyridi...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccccc1F
Show InChI InChI=1S/C16H12FN3O3/c17-13-4-2-1-3-12(13)10-23-15-6-8-19-20(15)14-9-11(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 5A


(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 KDM5A (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))
BDBM264006
PNG
(2-[5-[(4-fluorophenyl)methoxy]-4- methylpyrazol-1-...)
Show SMILES Cc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14FN3O3/c1-11-9-20-21(15-8-13(17(22)23)6-7-19-15)16(11)24-10-12-2-4-14(18)5-3-12/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 4C


(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 KDM4C (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))
BDBM50158755
PNG
(CHEMBL3786579 | US10173996, Example 109 | US960496...)
Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)
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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 4C


(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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n/an/a 68n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (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 4C


(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 KDM4C (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 5A


(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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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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))
BDBM263953
PNG
(2-(5-(3-hydroxy-4-methylphenyl)- 1H-pyrazol-1-yl)i...)
Show SMILES Cc1ccc(cc1O)-c1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C16H13N3O3/c1-10-2-3-11(8-14(10)20)13-5-7-18-19(13)15-9-12(16(21)22)4-6-17-15/h2-9,20H,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 5A


(Homo sapiens (Human))
BDBM264006
PNG
(2-[5-[(4-fluorophenyl)methoxy]-4- methylpyrazol-1-...)
Show SMILES Cc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14FN3O3/c1-11-9-20-21(15-8-13(17(22)23)6-7-19-15)16(11)24-10-12-2-4-14(18)5-3-12/h2-9H,10H2,1H3,(H,22,23)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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 4C


(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 KDM4C (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 5A


(Homo sapiens (Human))
BDBM50158755
PNG
(CHEMBL3786579 | US10173996, Example 109 | US960496...)
Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)
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n/an/a 80n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (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 4A


(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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n/an/a 99n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin)


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
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