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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'yapp' and Initial = 'c'   
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))
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





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))
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 7n/an/an/an/an/an/a



University of Oxford





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 5A


(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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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))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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n/an/a 19n/an/an/an/an/an/a



University of Oxford





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
3D
3D Structure (crystal)
Lysine-specific demethylase 5C


(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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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))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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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
3D
3D Structure (crystal)
Lysine-specific demethylase 5D (KDM5D)


(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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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))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
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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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))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
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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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 5C


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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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 5D (KDM5D)


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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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 5A


(Homo sapiens (Human))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
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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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 5C


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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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 5D (KDM5D)


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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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 5A


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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University of Oxford





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
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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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
3D
3D Structure (crystal)
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM223318
PNG
(KDOAM-28)
Show SMILES CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)
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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 5D (KDM5D)


(Homo sapiens (Human))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
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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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))
BDBM223318
PNG
(KDOAM-28)
Show SMILES CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)
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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
Peregrin


(Homo sapiens (Human))
BDBM50157570
PNG
(4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...)
Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
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n/an/a 114n/an/an/an/a7.425



Oxford University



Assay Description
Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...


ACS Chem Biol 12: 2619-2630 (2017)


BindingDB Entry DOI: 10.7270/Q2HM56MX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4C


(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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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
Peregrin


(Homo sapiens (Human))
BDBM50032927
PNG
(CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
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n/an/a 172n/an/an/an/a7.425



Oxford University



Assay Description
Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...


ACS Chem Biol 12: 2619-2630 (2017)


BindingDB Entry DOI: 10.7270/Q2HM56MX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4C


(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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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 5C


(Homo sapiens (Human))
BDBM223318
PNG
(KDOAM-28)
Show SMILES CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)
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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 5D (KDM5D)


(Homo sapiens (Human))
BDBM223318
PNG
(KDOAM-28)
Show SMILES CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)
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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 5C


(Homo sapiens (Human))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
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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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
Peregrin


(Homo sapiens (Human))
BDBM50148549
PNG
(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)
Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C
Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
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n/an/a 270n/an/an/an/a7.425



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Assay Description
Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...


ACS Chem Biol 12: 2619-2630 (2017)


BindingDB Entry DOI: 10.7270/Q2HM56MX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM223319
PNG
(KDOAM-29)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N(C)C
Show InChI InChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3
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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))
BDBM223319
PNG
(KDOAM-29)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N(C)C
Show InChI InChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3
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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 5A


(Homo sapiens (Human))
BDBM223319
PNG
(KDOAM-29)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N(C)C
Show InChI InChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3
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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 5A


(Homo sapiens (Human))
BDBM223318
PNG
(KDOAM-28)
Show SMILES CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)
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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 4A (KDM4A)


(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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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
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50157570
PNG
(4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...)
Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
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n/an/a 619n/an/an/an/a7.425



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Assay Description
Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...


ACS Chem Biol 12: 2619-2630 (2017)


BindingDB Entry DOI: 10.7270/Q2HM56MX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM223319
PNG
(KDOAM-29)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N(C)C
Show InChI InChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3
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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 5C


(Homo sapiens (Human))
BDBM223317
PNG
(KDOAM-1)
Show SMILES OC(=O)c1ccnc(CN2CCNCC2)c1
Show InChI InChI=1S/C11H15N3O2/c15-11(16)9-1-2-13-10(7-9)8-14-5-3-12-4-6-14/h1-2,7,12H,3-6,8H2,(H,15,16)
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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 4C


(Homo sapiens (Human))
BDBM223317
PNG
(KDOAM-1)
Show SMILES OC(=O)c1ccnc(CN2CCNCC2)c1
Show InChI InChI=1S/C11H15N3O2/c15-11(16)9-1-2-13-10(7-9)8-14-5-3-12-4-6-14/h1-2,7,12H,3-6,8H2,(H,15,16)
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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 5D (KDM5D)


(Homo sapiens (Human))
BDBM223319
PNG
(KDOAM-29)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N(C)C
Show InChI InChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3
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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 5C


(Homo sapiens (Human))
BDBM223317
PNG
(KDOAM-1)
Show SMILES OC(=O)c1ccnc(CN2CCNCC2)c1
Show InChI InChI=1S/C11H15N3O2/c15-11(16)9-1-2-13-10(7-9)8-14-5-3-12-4-6-14/h1-2,7,12H,3-6,8H2,(H,15,16)
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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 3A


(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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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 6B


(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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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
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50157570
PNG
(4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...)
Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
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Assay Description
Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...


ACS Chem Biol 12: 2619-2630 (2017)


BindingDB Entry DOI: 10.7270/Q2HM56MX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148549
PNG
(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)
Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C
Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
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Oxford University



Assay Description
Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...


ACS Chem Biol 12: 2619-2630 (2017)


BindingDB Entry DOI: 10.7270/Q2HM56MX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM223317
PNG
(KDOAM-1)
Show SMILES OC(=O)c1ccnc(CN2CCNCC2)c1
Show InChI InChI=1S/C11H15N3O2/c15-11(16)9-1-2-13-10(7-9)8-14-5-3-12-4-6-14/h1-2,7,12H,3-6,8H2,(H,15,16)
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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
Homo sapiens lysine demethylase 2A (KDM2A)


(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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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 4C


(Homo sapiens (Human))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
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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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 3A


(Homo sapiens (Human))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
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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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 4C


(Homo sapiens (Human))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
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 3.00E+3n/an/an/an/an/an/a



University of Oxford





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
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50032927
PNG
(CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1
Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
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n/an/a 3.52E+3n/an/an/an/a7.425



Oxford University



Assay Description
Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...


ACS Chem Biol 12: 2619-2630 (2017)


BindingDB Entry DOI: 10.7270/Q2HM56MX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Oxford





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 4C


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Oxford





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
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