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Found 10 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)'   
Target
(Institution)
LigandTarget
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 5D (KDM5D(1-760)ΔAP)


(Homo sapiens (Human))
BDBM191597
PNG
(3-((1-(2-(4,4-difluoropiperidin-1-yl)ethyl)-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C20H20F3N5O2/c21-13-1-2-17-15(11-13)18(25-16-12-24-6-3-14(16)19(29)30)26-28(17)10-9-27-7-4-20(22,23)5-8-27/h1-3,6,11-12H,4-5,7-10H2,(H,25,26)(H,29,30)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Emory University



Assay Description
For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 C unti...


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Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)


(Homo sapiens (Human))
BDBM191596
PNG
(6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...)
Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Emory University



Assay Description
For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 C unti...


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)


(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 1.10E+4n/an/an/an/an/an/a



Emory University



Assay Description
For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 C unti...


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)


(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 1.40E+4n/an/an/an/an/an/a



Emory University



Assay Description
For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 C unti...


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More data for this
Ligand-Target Pair
Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)


(Homo sapiens (Human))
BDBM191601
PNG
(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Emory University



Assay Description
For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 C unti...


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)


(Homo sapiens (Human))
BDBM191602
PNG
(3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...)
Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12
Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Emory University



Assay Description
For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 C unti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)


(Homo sapiens (Human))
BDBM50396019
PNG
(4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-...)
Show SMILES OC(=O)c1ccnc(c1)-c1cc(ccn1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H17N3O3/c24-19(23-9-6-14-4-2-1-3-5-14)15-7-10-21-17(12-15)18-13-16(20(25)26)8-11-22-18/h1-5,7-8,10-13H,6,9H2,(H,23,24)(H,25,26)
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n/an/a 5.30E+4n/an/an/an/an/an/a



Emory University



Assay Description
For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 C unti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)


(Homo sapiens (Human))
BDBM191604
PNG
(8-(1-methyl-1Himidazol-4-yl)-2-(4,4,4-trifluorobut...)
Show SMILES Cn1cnc(c1)-c1nccc2c(O)nc(OCCCC(F)(F)F)nc12
Show InChI InChI=1S/C15H14F3N5O2/c1-23-7-10(20-8-23)12-11-9(3-5-19-12)13(24)22-14(21-11)25-6-2-4-15(16,17)18/h3,5,7-8H,2,4,6H2,1H3,(H,21,22,24)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Emory University



Assay Description
For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 C unti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)


(Homo sapiens (Human))
BDBM191599
PNG
(ethyl 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino...)
Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3
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n/an/a 2.90E+5n/an/an/an/an/an/a



Emory University



Assay Description
For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 C unti...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP)


(Homo sapiens (Human))
BDBM191603
PNG
(methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyr...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H19N3O3/c1-27-21(26)17-9-12-23-19(14-17)18-13-16(8-11-22-18)20(25)24-10-7-15-5-3-2-4-6-15/h2-6,8-9,11-14H,7,10H2,1H3,(H,24,25)
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n/an/a>4.70E+5n/an/an/an/an/an/a



Emory University



Assay Description
For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 C unti...


Citation and Details
More data for this
Ligand-Target Pair