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Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'kim' and Initial = 'is'   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50048890
PNG
(Acetic acid 2-hydroxymethyl-5-oxo-4-tetradec-(E)-y...)
Show SMILES CCCCCCCCCCCCC\C=C1/CC(CO)(COC(C)=O)OC1=O
Show InChI InChI=1/C22H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-22(17-23,27-21(20)25)18-26-19(2)24/h15,23H,3-14,16-18H2,1-2H3/b20-15+
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78n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00307-2
BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50070858
PNG
(CHEMBL49945 | Tetradecane-1-sulfonic acid 2-hydrox...)
Show SMILES CCCCCCCCCCCCCCS(=O)(=O)OCC1(CO)CCC(=O)O1
Show InChI InChI=1/C20H38O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-27(23,24)25-18-20(17-21)15-14-19(22)26-20/h21H,2-18H2,1H3
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91n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00307-2
BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50048889
PNG
(CHEMBL299225 | Tetradecanoic acid 2-hydroxymethyl-...)
Show SMILES CCCCCCCCCCCCCC(=O)OCC1(CO)CCC(=O)O1
Show InChI InChI=1/C20H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)24-17-20(16-21)15-14-19(23)25-20/h21H,2-17H2,1H3
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138n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00307-2
BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50070859
PNG
(Acetic acid 5-hydroxymethyl-2,2-dioxo-3-tetradec-(...)
Show SMILES CCCCCCCCCCCCC\C=C1/CC(CO)(COC(C)=O)OS1(=O)=O
Show InChI InChI=1/C21H38O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-21(17-22,18-26-19(2)23)27-28(20,24)25/h15,22H,3-14,16-18H2,1-2H3/b20-15+
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320n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00307-2
BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50070861
PNG
(CHEMBL48577 | Methanesulfonic acid 2-hydroxymethyl...)
Show SMILES CCCCCCCCCCCCC\C=C1/CC(CO)(COS(C)(=O)=O)OC1=O
Show InChI InChI=1/C21H38O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-21(17-22,27-20(19)23)18-26-28(2,24)25/h15,22H,3-14,16-18H2,1-2H3/b19-15+
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823n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00307-2
BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50070860
PNG
(CHEMBL51992 | Tetradecanoic acid 5-hydroxymethyl-2...)
Show SMILES CCCCCCCCCCCCCC(=O)OCC1(CO)CCS(=O)(=O)O1
Show InChI InChI=1/C19H36O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)24-17-19(16-20)14-15-26(22,23)25-19/h20H,2-17H2,1H3
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1.04E+3n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00307-2
BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a>1n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as subst...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a>1n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrat...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 1.10n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in insect cells/baculovirus expression system using RHK-K(...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 1.10n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incuba...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 1.10n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrat...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 1.10n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/human recombinant N-terminal GST-tagged NCOR2 expressed i...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 1.30n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(TFA)-A...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 1.5n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-K(Ac)-AMC as substrate incu...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 1.70n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate ...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 1.80n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/human recombinant N-terminal GST-tagged NCOR2 expressed i...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 2n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(TFA)-A...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 2.30n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 using trifluoroacetyl lysine as substrate


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 2.70n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incuba...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 3.10n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-K(Ac)-AMC as substrate incu...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 3.30n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in insect cells/baculovirus expression system using RHK-K(...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 3.5n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using RHK-K(Ac)-AMC as substrate


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 4.10n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incubat...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 5.70n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate ...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 6.60n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as subst...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 7.80n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using RHK-K(Ac)-AMC as substrate


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 29n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Fluor de Lys-SIRT1 as substrate incubated for 15 mins by fluorescence assay


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142926
PNG
(CHEMBL3759759)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)N(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C23H36ClN5O4/c1-27(2)23(31)29-9-5-15(6-10-29)13-28-8-7-19(21(14-28)33-4)26-22(30)16-11-17(24)18(25)12-20(16)32-3/h11-12,15,19,21H,5-10,13-14,25H2,1-4H3,(H,26,30)/t19-,21+/s2
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n/an/a 52n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142909
PNG
(CHEMBL3759928)
Show SMILES CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C29H39ClN4O4/c1-37-26-18-24(31)23(30)17-22(26)29(36)32-25-10-12-33(19-27(25)38-2)13-11-28(35)34-14-8-21(9-15-34)16-20-6-4-3-5-7-20/h3-7,17-18,21,25,27H,8-16,19,31H2,1-2H3,(H,32,36)/t25-,27+/s2
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n/an/a 66n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142929
PNG
(CHEMBL3758309)
Show SMILES CO[C@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C24H37ClN4O4/c1-15(2)24(31)29-9-5-16(6-10-29)13-28-8-7-20(22(14-28)33-4)27-23(30)17-11-18(25)19(26)12-21(17)32-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,30)/t20-,22+/s2
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n/an/a 68n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142928
PNG
(CHEMBL3758976)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)NC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C24H38ClN5O4/c1-15(2)27-24(32)30-9-5-16(6-10-30)13-29-8-7-20(22(14-29)34-4)28-23(31)17-11-18(25)19(26)12-21(17)33-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,32)(H,28,31)/t20-,22+/s2
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n/an/a 73n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142921
PNG
(CHEMBL3758433)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)CC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C25H39ClN4O4/c1-16(2)11-24(31)30-9-5-17(6-10-30)14-29-8-7-21(23(15-29)34-4)28-25(32)18-12-19(26)20(27)13-22(18)33-3/h12-13,16-17,21,23H,5-11,14-15,27H2,1-4H3,(H,28,32)/t21-,23+/s2
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n/an/a 78n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142920
PNG
(CHEMBL3759944)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C25H39ClN4O4/c1-25(2,3)24(32)30-10-6-16(7-11-30)14-29-9-8-20(22(15-29)34-5)28-23(31)17-12-18(26)19(27)13-21(17)33-4/h12-13,16,20,22H,6-11,14-15,27H2,1-5H3,(H,28,31)/t20-,22+/s2
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n/an/a 118n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142919
PNG
(CHEMBL3759860)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C24H37ClN4O4/c1-15(2)24(31)29-9-5-16(6-10-29)13-28-8-7-20(22(14-28)33-4)27-23(30)17-11-18(25)19(26)12-21(17)32-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,30)/t20-,22+/s2
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n/an/a 134n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142923
PNG
(CHEMBL3758641)
Show SMILES CCCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1
Show InChI InChI=1/C24H37ClN4O5/c1-4-11-34-24(31)29-9-5-16(6-10-29)14-28-8-7-20(22(15-28)33-3)27-23(30)17-12-18(25)19(26)13-21(17)32-2/h12-13,16,20,22H,4-11,14-15,26H2,1-3H3,(H,27,30)/t20-,22+/s2
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n/an/a 134n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142925
PNG
(CHEMBL3758674)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=S)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C24H37ClN4O3S/c1-15(2)24(33)29-9-5-16(6-10-29)13-28-8-7-20(22(14-28)32-4)27-23(30)17-11-18(25)19(26)12-21(17)31-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,30)/t20-,22+/s2
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n/an/a 155n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142918
PNG
(CHEMBL3759546)
Show SMILES CCCC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1
Show InChI InChI=1/C24H37ClN4O4/c1-4-5-23(30)29-10-6-16(7-11-29)14-28-9-8-20(22(15-28)33-3)27-24(31)17-12-18(25)19(26)13-21(17)32-2/h12-13,16,20,22H,4-11,14-15,26H2,1-3H3,(H,27,31)/t20-,22+/s2
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n/an/a 178n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142904
PNG
(CHEMBL3759969)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)OC)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C22H33ClN4O5/c1-30-19-11-17(24)16(23)10-15(19)21(28)25-18-6-7-26(13-20(18)31-2)12-14-4-8-27(9-5-14)22(29)32-3/h10-11,14,18,20H,4-9,12-13,24H2,1-3H3,(H,25,28)/t18-,20+/s2
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n/an/a 190n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 199n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Fluor de Lys-SIRT1 as substrate incubated for 15 mins by fluorescence assay


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142907
PNG
(CHEMBL3759259)
Show SMILES CCC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1
Show InChI InChI=1/C23H35ClN4O4/c1-4-22(29)28-9-5-15(6-10-28)13-27-8-7-19(21(14-27)32-3)26-23(30)16-11-17(24)18(25)12-20(16)31-2/h11-12,15,19,21H,4-10,13-14,25H2,1-3H3,(H,26,30)/t19-,21+/s2
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n/an/a 329n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 370n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells using Boc-acetyl-lysine-AMC as substrate incubated for 24 hrs by fluorometric assay


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142922
PNG
(CHEMBL3758398)
Show SMILES CCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1
Show InChI InChI=1/C23H35ClN4O5/c1-4-33-23(30)28-9-5-15(6-10-28)13-27-8-7-19(21(14-27)32-3)26-22(29)16-11-17(24)18(25)12-20(16)31-2/h11-12,15,19,21H,4-10,13-14,25H2,1-3H3,(H,26,29)/t19-,21+/s2
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n/an/a 377n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044996
PNG
(CHEMBL3310408)
Show SMILES CCN(CC)CCNC(=O)Cc1nc(sc1C)-c1ncc(C#N)c(C)c1O
Show InChI InChI=1S/C19H25N5O2S/c1-5-24(6-2)8-7-21-16(25)9-15-13(4)27-19(23-15)17-18(26)12(3)14(10-20)11-22-17/h11,26H,5-9H2,1-4H3,(H,21,25)
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n/an/a 400n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50240798
PNG
((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14?,18+,19-/s2
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n/an/a 470n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase using androstenedione as substrate assessed as estrone formation at 10 uM after 30 mins by LC-MS/MS analysis


Bioorg Med Chem Lett 24: 1730-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.039
BindingDB Entry DOI: 10.7270/Q2CR5VWH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50388686
PNG
(CHEMBL74656)
Show SMILES CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/s2
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n/an/a 483n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142906
PNG
(CHEMBL3759348)
Show SMILES CCC(=O)N1CCCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)C1
Show InChI InChI=1/C23H35ClN4O4/c1-4-22(29)28-8-5-6-15(13-28)12-27-9-7-19(21(14-27)32-3)26-23(30)16-10-17(24)18(25)11-20(16)31-2/h10-11,15,19,21H,4-9,12-14,25H2,1-3H3,(H,26,30)/t15?,19-,21+/s2
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n/an/a 493n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142910
PNG
(CHEMBL3758945)
Show SMILES CO[C@@H]1CN(CCC(=O)N2CCCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C22H33ClN4O4/c1-30-19-13-17(24)16(23)12-15(19)22(29)25-18-6-10-26(14-20(18)31-2)11-7-21(28)27-8-4-3-5-9-27/h12-13,18,20H,3-11,14,24H2,1-2H3,(H,25,29)/t18-,20+/s2
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n/an/a 560n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142903
PNG
(CHEMBL3759362)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(C)=O)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C22H33ClN4O4/c1-14(28)27-8-4-15(5-9-27)12-26-7-6-19(21(13-26)31-3)25-22(29)16-10-17(23)18(24)11-20(16)30-2/h10-11,15,19,21H,4-9,12-13,24H2,1-3H3,(H,25,29)/t19-,21+/s2
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n/an/a 592n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142924
PNG
(CHEMBL3758397)
Show SMILES CCC(=S)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1
Show InChI InChI=1/C23H35ClN4O3S/c1-4-22(32)28-9-5-15(6-10-28)13-27-8-7-19(21(14-27)31-3)26-23(29)16-11-17(24)18(25)12-20(16)30-2/h11-12,15,19,21H,4-10,13-14,25H2,1-3H3,(H,26,29)/t19-,21+/s2
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n/an/a 593n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50142915
PNG
(CHEMBL3758932)
Show SMILES CO[C@@H]1CN(CCCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C21H29ClN4O3/c1-28-19-13-17(23)16(22)12-15(19)21(27)24-18-6-11-26(14-20(18)29-2)10-5-9-25-7-3-4-8-25/h3-4,7-8,12-13,18,20H,5-6,9-11,14,23H2,1-2H3,(H,24,27)/t18-,20+/s2
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n/an/a 648n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
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