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Compile Data Set for Download or QSAR

Found 414 hits of ic50 for UniProtKB: O15054   
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 6B


(Homo sapiens (Human))
BDBM60875
PNG
(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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n/an/a 16n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG-tagged human KDM6B expressed in expressed in Sf9 cells pre-incubated for 4 hrs before substrate addition and measured a...


Bioorg Med Chem Lett 29: 1173-1176 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.028
BindingDB Entry DOI: 10.7270/Q2H70K7V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM60875
PNG
(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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n/an/a 63n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin)


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin)


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293691
PNG
(3-({[(4S)-7-(thiophen-3-yl)-3,4-dihydro-2H-1-benzo...)
Show SMILES OC(=O)c1ccncc1NC[C@H]1CCOc2cc(ccc12)-c1ccsc1 |r|
Show InChI InChI=1S/C20H18N2O3S/c23-20(24)17-3-6-21-11-18(17)22-10-14-4-7-25-19-9-13(1-2-16(14)19)15-5-8-26-12-15/h1-3,5-6,8-9,11-12,14,22H,4,7,10H2,(H,23,24)/t14-/m1/s1
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n/an/a<100n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293686
PNG
(3-({[7-(furan-3-yl)-3,4-dihydro-2H-1-benzopyran-4-...)
Show SMILES OC(=O)c1ccncc1NCC1CCOc2cc(ccc12)-c1ccoc1
Show InChI InChI=1S/C20H18N2O4/c23-20(24)17-3-6-21-11-18(17)22-10-14-5-8-26-19-9-13(1-2-16(14)19)15-4-7-25-12-15/h1-4,6-7,9,11-12,14,22H,5,8,10H2,(H,23,24)
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n/an/a<100n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 140n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD3 (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM60875
PNG
(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.006
BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140574
PNG
(CHEMBL3753391)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C20H22N6O2/c27-19(28)6-10-21-20-23-17(14-18(24-20)26-11-3-9-22-26)25-12-7-15-4-1-2-5-16(15)8-13-25/h1-5,9,11,14H,6-8,10,12-13H2,(H,27,28)(H,21,23,24)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.006
BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM60875
PNG
(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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n/an/a 160n/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
3D
3D Structure (crystal)
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01204
BindingDB Entry DOI: 10.7270/Q2BR8X83
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140567
PNG
(CHEMBL3752893)
Show SMILES OC(=O)CCNc1nc(cc(n1)-c1nccs1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C20H21N5O2S/c26-18(27)5-8-22-20-23-16(19-21-9-12-28-19)13-17(24-20)25-10-6-14-3-1-2-4-15(14)7-11-25/h1-4,9,12-13H,5-8,10-11H2,(H,26,27)(H,22,23,24)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.006
BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140345
PNG
(CHEMBL3752179)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1ccnn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C19H21N7O2/c27-18(28)5-8-20-19-22-16(13-17(23-19)26-12-9-21-24-26)25-10-6-14-3-1-2-4-15(14)7-11-25/h1-4,9,12-13H,5-8,10-11H2,(H,27,28)(H,20,22,23)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.006
BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140680
PNG
(CHEMBL3753740)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1nccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C19H21N7O2/c27-18(28)5-8-20-19-23-16(13-17(24-19)26-21-9-10-22-26)25-11-6-14-3-1-2-4-15(14)7-12-25/h1-4,9-10,13H,5-8,11-12H2,(H,27,28)(H,20,23,24)
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n/an/a 270n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.006
BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 316n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin)


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50008059
PNG
(CHEBI:5292 | GELDANAMYCIN)
Show SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,21,t:13,19,32|
Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00680
BindingDB Entry DOI: 10.7270/Q2W95F76
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50005781
PNG
(ALVESPIMYCIN | CHEBI:65324)
Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,25,t:17,23,36|
Show InChI InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00680
BindingDB Entry DOI: 10.7270/Q2W95F76
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50008057
PNG
(BMS-722782 | CHEBI:64153 | TANESPIMYCIN)
Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34|
Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00680
BindingDB Entry DOI: 10.7270/Q2W95F76
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140678
PNG
(CHEMBL3752769)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cccn1)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H20N6O2/c26-18(27)6-9-20-19-22-16(12-17(23-19)25-10-3-8-21-25)24-11-7-14-4-1-2-5-15(14)13-24/h1-5,8,10,12H,6-7,9,11,13H2,(H,26,27)(H,20,22,23)
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n/an/a 490n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.006
BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM373163
PNG
(2-{1-[2-(4-fluorophenyl)ethyl]-1H-imidazol- 4-yl}-...)
Show SMILES Fc1ccc(CCn2cnc(c2)-c2cc(ccn2)-c2nn[nH]c2C(F)(F)F)cc1
Show InChI InChI=1S/C19H14F4N6/c20-14-3-1-12(2-4-14)6-8-29-10-16(25-11-29)15-9-13(5-7-24-15)17-18(19(21,22)23)27-28-26-17/h1-5,7,9-11H,6,8H2,(H,26,27,28)
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n/an/a>500n/an/an/an/an/an/a



GSK



Assay Description
The ability of test compounds to inhibit the activity of JMJD3 was determined in 384-well plate format under the following reaction conditions: 1 nM ...


Bioorg Med Chem Lett 17: 1584-9 (2007)


BindingDB Entry DOI: 10.7270/Q2FT8PBQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM319659
PNG
(2-{1-[2-(3-fluorophenyl)ethyl]-1H-imidazol-4-yl}-4...)
Show SMILES Fc1cccc(CCn2cnc(c2)-c2cc(ccn2)-c2nn[nH]c2C(F)(F)F)c1
Show InChI InChI=1S/C19H14F4N6/c20-14-3-1-2-12(8-14)5-7-29-10-16(25-11-29)15-9-13(4-6-24-15)17-18(19(21,22)23)27-28-26-17/h1-4,6,8-11H,5,7H2,(H,26,27,28)
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GSK



Assay Description
The ability of test compounds to inhibit the activity of JMJD3 was determined in 384-well plate format under the following reaction conditions: 1 nM ...


Bioorg Med Chem Lett 17: 1584-9 (2007)


BindingDB Entry DOI: 10.7270/Q2FT8PBQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270499
PNG
(3-{[((1R)-6-{methyl[4-(methylethyl)phenyl]amino}-1...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-17(2)18-4-6-20(7-5-18)30(3)21-8-9-22-19(14-21)10-13-28-25(22)16-29-24-15-27-12-11-23(24)26(31)32/h4-9,11-12,14-15,17,25,28-29H,10,13,16H2,1-3H3,(H,31,32)/t25-/m0/s1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2QV3RNH
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270502
PNG
(3-[({(1S)-5-[methyl(4-methylphenyl)amino]iso-indol...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-15-3-5-17(6-4-15)27(2)18-7-8-19-16(11-18)12-25-22(19)14-26-21-13-24-10-9-20(21)23(28)29/h3-11,13,22,25-26H,12,14H2,1-2H3,(H,28,29)/t22-/m1/s1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2QV3RNH
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270503
PNG
(3-[({(1R)-5-[methyl(4-methylphenyl)amino]iso-indol...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-15-3-5-17(6-4-15)27(2)18-7-8-19-16(11-18)12-25-22(19)14-26-21-13-24-10-9-20(21)23(28)29/h3-11,13,22,25-26H,12,14H2,1-2H3,(H,28,29)/t22-/m0/s1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2QV3RNH
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270506
PNG
(3-[({(1S)-5-[2-methyl-4-(2,2,2-trifluoroethoxy)phe...)
Show SMILES Cc1cc(OCC(F)(F)F)ccc1-c1ccc2[C@@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C24H22F3N3O3/c1-14-8-17(33-13-24(25,26)27)3-5-18(14)15-2-4-19-16(9-15)10-29-22(19)12-30-21-11-28-7-6-20(21)23(31)32/h2-9,11,22,29-30H,10,12-13H2,1H3,(H,31,32)/t22-/m1/s1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2QV3RNH
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM613675
PNG
(3-{[((1S)-6-{methyl[4- 1,2,3,4-tetrahydroisoquinol...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2C(CNc3cnccc3C(O)=O)NCCc2c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2QV3RNH
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270494
PNG
(3-[({(1S)-6-[methyl(4-methylphenyl)amino]-1,2,3,4-...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C24H26N4O2/c1-16-3-5-18(6-4-16)28(2)19-7-8-20-17(13-19)9-12-26-23(20)15-27-22-14-25-11-10-21(22)24(29)30/h3-8,10-11,13-14,23,26-27H,9,12,15H2,1-2H3,(H,29,30)/t23-/m1/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270495
PNG
(3-[({(1R)-6-[methyl(4-methyl-phenyl)amino]-1,2,3,4...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C24H26N4O2/c1-16-3-5-18(6-4-16)28(2)19-7-8-20-17(13-19)9-12-26-23(20)15-27-22-14-25-11-10-21(22)24(29)30/h3-8,10-11,13-14,23,26-27H,9,12,15H2,1-2H3,(H,29,30)/t23-/m0/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270499
PNG
(3-{[((1R)-6-{methyl[4-(methylethyl)phenyl]amino}-1...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-17(2)18-4-6-20(7-5-18)30(3)21-8-9-22-19(14-21)10-13-28-25(22)16-29-24-15-27-12-11-23(24)26(31)32/h4-9,11-12,14-15,17,25,28-29H,10,13,16H2,1-3H3,(H,31,32)/t25-/m0/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270502
PNG
(3-[({(1S)-5-[methyl(4-methylphenyl)amino]iso-indol...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-15-3-5-17(6-4-15)27(2)18-7-8-19-16(11-18)12-25-22(19)14-26-21-13-24-10-9-20(21)23(28)29/h3-11,13,22,25-26H,12,14H2,1-2H3,(H,28,29)/t22-/m1/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270503
PNG
(3-[({(1R)-5-[methyl(4-methylphenyl)amino]iso-indol...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-15-3-5-17(6-4-15)27(2)18-7-8-19-16(11-18)12-25-22(19)14-26-21-13-24-10-9-20(21)23(28)29/h3-11,13,22,25-26H,12,14H2,1-2H3,(H,28,29)/t22-/m0/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270506
PNG
(3-[({(1S)-5-[2-methyl-4-(2,2,2-trifluoroethoxy)phe...)
Show SMILES Cc1cc(OCC(F)(F)F)ccc1-c1ccc2[C@@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C24H22F3N3O3/c1-14-8-17(33-13-24(25,26)27)3-5-18(14)15-2-4-19-16(9-15)10-29-22(19)12-30-21-11-28-7-6-20(21)23(31)32/h2-9,11,22,29-30H,10,12-13H2,1H3,(H,31,32)/t22-/m1/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270494
PNG
(3-[({(1S)-6-[methyl(4-methylphenyl)amino]-1,2,3,4-...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C24H26N4O2/c1-16-3-5-18(6-4-16)28(2)19-7-8-20-17(13-19)9-12-26-23(20)15-27-22-14-25-11-10-21(22)24(29)30/h3-8,10-11,13-14,23,26-27H,9,12,15H2,1-2H3,(H,29,30)/t23-/m1/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270495
PNG
(3-[({(1R)-6-[methyl(4-methyl-phenyl)amino]-1,2,3,4...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C24H26N4O2/c1-16-3-5-18(6-4-16)28(2)19-7-8-20-17(13-19)9-12-26-23(20)15-27-22-14-25-11-10-21(22)24(29)30/h3-8,10-11,13-14,23,26-27H,9,12,15H2,1-2H3,(H,29,30)/t23-/m0/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270498
PNG
(3-{[((1S)-6-{methyl[4-(methylethyl)phenyl]amino}-1...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2[C@@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-17(2)18-4-6-20(7-5-18)30(3)21-8-9-22-19(14-21)10-13-28-25(22)16-29-24-15-27-12-11-23(24)26(31)32/h4-9,11-12,14-15,17,25,28-29H,10,13,16H2,1-3H3,(H,31,32)/t25-/m1/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270499
PNG
(3-{[((1R)-6-{methyl[4-(methylethyl)phenyl]amino}-1...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-17(2)18-4-6-20(7-5-18)30(3)21-8-9-22-19(14-21)10-13-28-25(22)16-29-24-15-27-12-11-23(24)26(31)32/h4-9,11-12,14-15,17,25,28-29H,10,13,16H2,1-3H3,(H,31,32)/t25-/m0/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270502
PNG
(3-[({(1S)-5-[methyl(4-methylphenyl)amino]iso-indol...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-15-3-5-17(6-4-15)27(2)18-7-8-19-16(11-18)12-25-22(19)14-26-21-13-24-10-9-20(21)23(28)29/h3-11,13,22,25-26H,12,14H2,1-2H3,(H,28,29)/t22-/m1/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270503
PNG
(3-[({(1R)-5-[methyl(4-methylphenyl)amino]iso-indol...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-15-3-5-17(6-4-15)27(2)18-7-8-19-16(11-18)12-25-22(19)14-26-21-13-24-10-9-20(21)23(28)29/h3-11,13,22,25-26H,12,14H2,1-2H3,(H,28,29)/t22-/m0/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293689
PNG
(3-({[(4S)-7-(4-methylphenyl)-3,4-dihydro-2H-1-benz...)
Show SMILES Cc1ccc(cc1)-c1ccc2[C@@H](CNc3cnccc3C(O)=O)CCOc2c1 |r|
Show InChI InChI=1S/C23H22N2O3/c1-15-2-4-16(5-3-15)17-6-7-19-18(9-11-28-22(19)12-17)13-25-21-14-24-10-8-20(21)23(26)27/h2-8,10,12,14,18,25H,9,11,13H2,1H3,(H,26,27)/t18-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293694
PNG
(3-({[(4S)-7-(2-methylthiophen-3-yl)-3,4-dihydro-2H...)
Show SMILES Cc1sccc1-c1ccc2[C@@H](CNc3cnccc3C(O)=O)CCOc2c1 |r|
Show InChI InChI=1S/C21H20N2O3S/c1-13-16(6-9-27-13)14-2-3-17-15(5-8-26-20(17)10-14)11-23-19-12-22-7-4-18(19)21(24)25/h2-4,6-7,9-10,12,15,23H,5,8,11H2,1H3,(H,24,25)/t15-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293697
PNG
(3-({[(4S)-7-(2-chlorophenyl)-3,4-dihydro-2H-1-benz...)
Show SMILES OC(=O)c1ccncc1NC[C@H]1CCOc2cc(ccc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C22H19ClN2O3/c23-19-4-2-1-3-16(19)14-5-6-17-15(8-10-28-21(17)11-14)12-25-20-13-24-9-7-18(20)22(26)27/h1-7,9,11,13,15,25H,8,10,12H2,(H,26,27)/t15-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293710
PNG
(3-({[(4S)-7-[(3-fluorophenyl)sulfanyl]-3,4-dihydro...)
Show SMILES OC(=O)c1ccncc1NC[C@H]1CCOc2cc(Sc3cccc(F)c3)ccc12 |r|
Show InChI InChI=1S/C22H19FN2O3S/c23-15-2-1-3-16(10-15)29-17-4-5-18-14(7-9-28-21(18)11-17)12-25-20-13-24-8-6-19(20)22(26)27/h1-6,8,10-11,13-14,25H,7,9,12H2,(H,26,27)/t14-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293712
PNG
(3-({[(4S)-7-[(4-fluorophenyl)sulfanyl]-3,4-dihydro...)
Show SMILES OC(=O)c1ccncc1NC[C@H]1CCOc2cc(Sc3ccc(F)cc3)ccc12 |r|
Show InChI InChI=1S/C22H19FN2O3S/c23-15-1-3-16(4-2-15)29-17-5-6-18-14(8-10-28-21(18)11-17)12-25-20-13-24-9-7-19(20)22(26)27/h1-7,9,11,13-14,25H,8,10,12H2,(H,26,27)/t14-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293757
PNG
(3-({[(1R)-6-methoxy-5-methyl-1,2,3,4-tetrahydronap...)
Show SMILES COc1ccc2[C@H](CNc3cnccc3C(O)=O)CCCc2c1C |r|
Show InChI InChI=1S/C19H22N2O3/c1-12-14-5-3-4-13(15(14)6-7-18(12)24-2)10-21-17-11-20-9-8-16(17)19(22)23/h6-9,11,13,21H,3-5,10H2,1-2H3,(H,22,23)/t13-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270498
PNG
(3-{[((1S)-6-{methyl[4-(methylethyl)phenyl]amino}-1...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2[C@@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-17(2)18-4-6-20(7-5-18)30(3)21-8-9-22-19(14-21)10-13-28-25(22)16-29-24-15-27-12-11-23(24)26(31)32/h4-9,11-12,14-15,17,25,28-29H,10,13,16H2,1-3H3,(H,31,32)/t25-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10059687 (2018)


BindingDB Entry DOI: 10.7270/Q2TM7D54
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270499
PNG
(3-{[((1R)-6-{methyl[4-(methylethyl)phenyl]amino}-1...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-17(2)18-4-6-20(7-5-18)30(3)21-8-9-22-19(14-21)10-13-28-25(22)16-29-24-15-27-12-11-23(24)26(31)32/h4-9,11-12,14-15,17,25,28-29H,10,13,16H2,1-3H3,(H,31,32)/t25-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10059687 (2018)


BindingDB Entry DOI: 10.7270/Q2TM7D54
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140576
PNG
(CHEMBL3752835)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cccn1)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN7O2/c21-15-2-4-16(5-3-15)26-10-12-27(13-11-26)17-14-18(28-9-1-7-23-28)25-20(24-17)22-8-6-19(29)30/h1-5,7,9,14H,6,8,10-13H2,(H,29,30)(H,22,24,25)
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Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.006
BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293676
PNG
(3-({[(4R)-7-[methyl(phenyl)amino]-3,4-dihydro-2H-1...)
Show SMILES CN(c1ccccc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCOc2c1 |r|
Show InChI InChI=1S/C23H23N3O3/c1-26(17-5-3-2-4-6-17)18-7-8-19-16(10-12-29-22(19)13-18)14-25-21-15-24-11-9-20(21)23(27)28/h2-9,11,13,15-16,25H,10,12,14H2,1H3,(H,27,28)/t16-/m0/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293683
PNG
(3-{[(2-phenyl-5,6,7,8-tetrahydroquinolin-5- | US10...)
Show SMILES OC(=O)c1ccncc1NCC1CCCc2nc(ccc12)-c1ccccc1
Show InChI InChI=1S/C22H21N3O2/c26-22(27)18-11-12-23-14-21(18)24-13-16-7-4-8-20-17(16)9-10-19(25-20)15-5-2-1-3-6-15/h1-3,5-6,9-12,14,16,24H,4,7-8,13H2,(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293687
PNG
(3-({[(4S)-7-(3-methylphenyl)-3,4-dihydro-2H-1-benz...)
Show SMILES Cc1cccc(c1)-c1ccc2[C@@H](CNc3cnccc3C(O)=O)CCOc2c1 |r|
Show InChI InChI=1S/C23H22N2O3/c1-15-3-2-4-16(11-15)17-5-6-19-18(8-10-28-22(19)12-17)13-25-21-14-24-9-7-20(21)23(26)27/h2-7,9,11-12,14,18,25H,8,10,13H2,1H3,(H,26,27)/t18-/m1/s1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270494
PNG
(3-[({(1S)-6-[methyl(4-methylphenyl)amino]-1,2,3,4-...)
Show SMILES CN(c1ccc(C)cc1)c1ccc2[C@@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C24H26N4O2/c1-16-3-5-18(6-4-16)28(2)19-7-8-20-17(13-19)9-12-26-23(20)15-27-22-14-25-11-10-21(22)24(29)30/h3-8,10-11,13-14,23,26-27H,9,12,15H2,1-2H3,(H,29,30)/t23-/m1/s1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2QV3RNH
More data for this
Ligand-Target Pair
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