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Compile Data Set for Download or QSAR

Found 665 hits from East China Normal University   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50401506
PNG
(CHEMBL2205895)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)cnn5-c1ccccc1
Show InChI InChI=1/C33H44N2O2/c1-21(11-16-29(36)37)25-13-14-26-24-12-15-28-31(2,3)30-22(20-34-35(30)23-9-7-6-8-10-23)19-33(28,5)27(24)17-18-32(25,26)4/h6-10,15,20-21,24-27H,11-14,16-19H2,1-5H3,(H,36,37)/t21-,24+,25-,26+,27+,32-,33-/s2
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840n/an/an/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Competitive inhibition of PTP1B by para-nitrophenyl phosphate release assay


Bioorg Med Chem Lett 22: 7237-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.040
BindingDB Entry DOI: 10.7270/Q2JH3NCP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50234990
PNG
(CHEMBL4062453)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36)
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n/an/a 1n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs...


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50278411
PNG
(CHEMBL4170367)
Show SMILES Cl.N[C@H]1CC[C@@H](CC1)N[C@H]1[C@H]2Cc3ccccc3[C@@H]12
Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12-,14-,15+,16-;/m0./s1
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n/an/a 2.20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...


Eur J Med Chem 141: 101-112 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50234994
PNG
(CHEMBL4063211)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1
Show InChI InChI=1S/C28H28N6O2/c1-32(2)12-13-33-18-23(16-31-33)21-10-11-34-25(17-30-27(34)15-21)22-8-9-24(28(29)35)26(14-22)36-19-20-6-4-3-5-7-20/h3-11,14-18H,12-13,19H2,1-2H3,(H2,29,35)
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n/an/a 3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs...


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/s2
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n/an/a 3.70n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using STK S2 as substrate after 40 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 4.70n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells after 60 mins by...


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50234990
PNG
(CHEMBL4062453)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36)
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n/an/a 5.40n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50278459
PNG
(CHEMBL4176756)
Show SMILES Cl.N[C@H]1CC[C@H](CC1)N[C@H]1[C@H]2Cc3ccccc3[C@@H]12
Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12+,14-,15+,16-;/m0./s1
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n/an/a 6.40n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...


Eur J Med Chem 141: 101-112 (2017)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50234990
PNG
(CHEMBL4062453)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36)
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n/an/a 6.5n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50235015
PNG
(CHEMBL4091089)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C29H27F3N6O2/c1-36(2)10-11-37-17-22(15-35-37)20-8-9-38-25(16-34-27(38)14-20)21-6-7-24(28(33)39)26(13-21)40-18-19-4-3-5-23(12-19)29(30,31)32/h3-9,12-17H,10-11,18H2,1-2H3,(H2,33,39)
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n/an/a 7n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs...


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/s2
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n/an/a 7.80n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using STK S2 as substrate after 30 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50467370
PNG
(CHEMBL4278759)
Show SMILES CCN(CC)c1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
Show InChI InChI=1S/C20H23N7/c1-5-27(6-2)20-21-11-15-17(14-9-7-12(3)8-10-14)22-16-13(4)25-26-19(16)23-18(15)24-20/h7-11H,5-6H2,1-4H3,(H2,21,23,24,25,26)
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n/an/a 8.30n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells after 60 mins by...


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50442739
PNG
(CHEMBL2442801)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(OCCCCCCC(=O)NO)c2)c2cc3OCOc3cc12
Show InChI InChI=1/C34H38N2O10/c1-41-27-12-19(13-28(42-2)33(27)38)30-22-15-25-26(46-18-45-25)16-23(22)32(24-17-44-34(39)31(24)30)35-20-8-7-9-21(14-20)43-11-6-4-3-5-10-29(37)36-40/h7-9,12-16,24,30-32,35,38,40H,3-6,10-11,17-18H2,1-2H3,(H,36,37)/t24-,30+,31-,32+/s2
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n/an/a 9.60n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Bioorg Med Chem 21: 6981-95 (2013)


Article DOI: 10.1016/j.bmc.2013.09.023
BindingDB Entry DOI: 10.7270/Q2CC124T
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+
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n/an/a 14n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged Aurora A expressed in baculovirus expression system using peptide substrate after 1 hr by Z'-L...


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254603
PNG
(US10214477, Example 5 | US9469597, 4 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...


Eur J Med Chem 141: 101-112 (2017)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50257608
PNG
(CHEMBL4086928)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C26H35N3O3/c1-31-23-4-2-3-21-22(17-29(24(21)23)6-5-28-7-9-32-10-8-28)25(30)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-4,17-20H,5-16H2,1H3,(H,27,30)
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n/an/a 16n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Agonist activity at human N-terminal HA-tagged CB2 receptor expressed in mouse AtT20 cells by FLIPR membrane potential assay


J Med Chem 60: 7067-7083 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50278460
PNG
(CHEMBL4166129)
Show SMILES Cl.N[C@H]1CC[C@H](CC1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12
Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12+,14-,15+,16+;/m0./s1
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n/an/a 17n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...


Eur J Med Chem 141: 101-112 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/s2
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/s2
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/s2
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50079474
PNG
(CHEMBL3417215)
Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1/C34H35N3O6/c1-40-29-15-13-23-24(18-28(29)38)26(14-12-21-17-30(41-2)32(42-3)33(43-4)31(21)23)36-19-20-8-7-9-22(16-20)34(39)37-27-11-6-5-10-25(27)35/h5-11,13,15-18,26,36H,12,14,19,35H2,1-4H3,(H,37,39)/t26-/s2
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50079474
PNG
(CHEMBL3417215)
Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1/C34H35N3O6/c1-40-29-15-13-23-24(18-28(29)38)26(14-12-21-17-30(41-2)32(42-3)33(43-4)31(21)23)36-19-20-8-7-9-22(16-20)34(39)37-27-11-6-5-10-25(27)35/h5-11,13,15-18,26,36H,12,14,19,35H2,1-4H3,(H,37,39)/t26-/s2
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50079474
PNG
(CHEMBL3417215)
Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1/C34H35N3O6/c1-40-29-15-13-23-24(18-28(29)38)26(14-12-21-17-30(41-2)32(42-3)33(43-4)31(21)23)36-19-20-8-7-9-22(16-20)34(39)37-27-11-6-5-10-25(27)35/h5-11,13,15-18,26,36H,12,14,19,35H2,1-4H3,(H,37,39)/t26-/s2
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50234990
PNG
(CHEMBL4062453)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36)
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n/an/a 20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of ABL (unknown origin)


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50278484
PNG
(CHEMBL4170687)
Show SMILES Cl.C(N[C@H]1[C@H]2Cc3ccccc3[C@@H]12)C1CCNCC1
Show InChI InChI=1S/C16H22N2.ClH/c1-2-4-13-12(3-1)9-14-15(13)16(14)18-10-11-5-7-17-8-6-11;/h1-4,11,14-18H,5-10H2;1H/t14-,15+,16-;/m0./s1
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n/an/a 21n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...


Eur J Med Chem 141: 101-112 (2017)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50467369
PNG
(CHEMBL4282231)
Show SMILES Cc1[nH]nc2Nc3nc(ncc3C(=Nc12)c1ccc(C)cc1)N1CCOCC1
Show InChI InChI=1S/C20H21N7O/c1-12-3-5-14(6-4-12)17-15-11-21-20(27-7-9-28-10-8-27)24-18(15)23-19-16(22-17)13(2)25-26-19/h3-6,11H,7-10H2,1-2H3,(H2,21,23,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells after 60 mins by...


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50467380
PNG
(CHEMBL4289433)
Show SMILES CN1CCN(CC1)c1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
Show InChI InChI=1S/C21H24N8/c1-13-4-6-15(7-5-13)18-16-12-22-21(29-10-8-28(3)9-11-29)25-19(16)24-20-17(23-18)14(2)26-27-20/h4-7,12H,8-11H2,1-3H3,(H2,22,24,25,26,27)
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n/an/a 25n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells after 60 mins by...


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50257607
PNG
(CHEMBL4104806)
Show SMILES CSc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C26H35N3O2S/c1-32-23-4-2-3-21-22(17-29(24(21)23)6-5-28-7-9-31-10-8-28)25(30)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-4,17-20H,5-16H2,1H3,(H,27,30)
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n/an/a 28n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...


J Med Chem 60: 7067-7083 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B (STK17B)


(Homo sapiens (Human))
BDBM50239006
PNG
(CHEMBL4060481)
Show SMILES Nc1c(sc2ncc(cc12)-c1ccsc1)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C13H8N4OS3/c14-9-8-3-7(6-1-2-20-5-6)4-15-12(8)21-10(9)11-16-17-13(19)18-11/h1-5H,14H2,(H,17,19)
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n/an/a 29n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin)


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50467363
PNG
(CHEMBL4280932)
Show SMILES Cc1[nH]nc2Nc3nc(ncc3C(=Nc12)c1ccc(C)cc1)N1CCCCC1
Show InChI InChI=1S/C21H23N7/c1-13-6-8-15(9-7-13)18-16-12-22-21(28-10-4-3-5-11-28)25-19(16)24-20-17(23-18)14(2)26-27-20/h6-9,12H,3-5,10-11H2,1-2H3,(H2,22,24,25,26,27)
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n/an/a 30n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells after 60 mins by...


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50467373
PNG
(CHEMBL4293912)
Show SMILES CC(C)Nc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
Show InChI InChI=1S/C19H21N7/c1-10(2)21-19-20-9-14-16(13-7-5-11(3)6-8-13)22-15-12(4)25-26-18(15)23-17(14)24-19/h5-10H,1-4H3,(H3,20,21,23,24,25,26)
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n/an/a 30n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells after 60 mins by...


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 34n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect High5 cells using Boc-Lys(epsilon-acetyl)-AMC as substrate by fluoresc...


Bioorg Med Chem Lett 21: 4844-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.046
BindingDB Entry DOI: 10.7270/Q2WM1DR3
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50467369
PNG
(CHEMBL4282231)
Show SMILES Cc1[nH]nc2Nc3nc(ncc3C(=Nc12)c1ccc(C)cc1)N1CCOCC1
Show InChI InChI=1S/C20H21N7O/c1-12-3-5-14(6-4-12)17-15-11-21-20(27-7-9-28-10-8-27)24-18(15)23-19-16(22-17)13(2)25-26-19/h3-6,11H,7-10H2,1-2H3,(H2,21,23,24,25,26)
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n/an/a 38n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using STK S2 as substrate after 30 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50467369
PNG
(CHEMBL4282231)
Show SMILES Cc1[nH]nc2Nc3nc(ncc3C(=Nc12)c1ccc(C)cc1)N1CCOCC1
Show InChI InChI=1S/C20H21N7O/c1-12-3-5-14(6-4-12)17-15-11-21-20(27-7-9-28-10-8-27)24-18(15)23-19-16(22-17)13(2)25-26-19/h3-6,11H,7-10H2,1-2H3,(H2,21,23,24,25,26)
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n/an/a 46n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using STK S2 as substrate after 40 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50442740
PNG
(CHEMBL2442800)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12
Show InChI InChI=1/C34H38N2O10/c1-41-27-13-19(14-28(42-2)33(27)38)30-22-15-25-26(46-18-45-25)16-23(22)32(24-17-44-34(39)31(24)30)35-20-8-10-21(11-9-20)43-12-6-4-3-5-7-29(37)36-40/h8-11,13-16,24,30-32,35,38,40H,3-7,12,17-18H2,1-2H3,(H,36,37)/t24-,30+,31-,32+/s2
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n/an/a 49n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Bioorg Med Chem 21: 6981-95 (2013)


Article DOI: 10.1016/j.bmc.2013.09.023
BindingDB Entry DOI: 10.7270/Q2CC124T
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50467363
PNG
(CHEMBL4280932)
Show SMILES Cc1[nH]nc2Nc3nc(ncc3C(=Nc12)c1ccc(C)cc1)N1CCCCC1
Show InChI InChI=1S/C21H23N7/c1-13-6-8-15(9-7-13)18-16-12-22-21(28-10-4-3-5-11-28)25-19(16)24-20-17(23-18)14(2)26-27-20/h6-9,12H,3-5,10-11H2,1-2H3,(H2,22,24,25,26,27)
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n/an/a 50n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using STK S2 as substrate after 30 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50442737
PNG
(CHEMBL2442691)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12
Show InChI InChI=1/C35H40N2O10/c1-42-28-14-20(15-29(43-2)34(28)39)31-23-16-26-27(47-19-46-26)17-24(23)33(25-18-45-35(40)32(25)31)36-21-9-11-22(12-10-21)44-13-7-5-3-4-6-8-30(38)37-41/h9-12,14-17,25,31-33,36,39,41H,3-8,13,18-19H2,1-2H3,(H,37,38)/t25-,31+,32-,33+/s2
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n/an/a 53n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Bioorg Med Chem 21: 6981-95 (2013)


Article DOI: 10.1016/j.bmc.2013.09.023
BindingDB Entry DOI: 10.7270/Q2CC124T
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50467373
PNG
(CHEMBL4293912)
Show SMILES CC(C)Nc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
Show InChI InChI=1S/C19H21N7/c1-10(2)21-19-20-9-14-16(13-7-5-11(3)6-8-13)22-15-12(4)25-26-18(15)23-17(14)24-19/h5-10H,1-4H3,(H3,20,21,23,24,25,26)
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n/an/a 54n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using STK S2 as substrate after 30 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50234990
PNG
(CHEMBL4062453)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36)
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n/an/a 57n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Eur J Med Chem 126: 1083-1106 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.026
BindingDB Entry DOI: 10.7270/Q2GT5QFN
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50467373
PNG
(CHEMBL4293912)
Show SMILES CC(C)Nc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
Show InChI InChI=1S/C19H21N7/c1-10(2)21-19-20-9-14-16(13-7-5-11(3)6-8-13)22-15-12(4)25-26-18(15)23-17(14)24-19/h5-10H,1-4H3,(H3,20,21,23,24,25,26)
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n/an/a 63n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using STK S2 as substrate after 40 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50442736
PNG
(CHEMBL2442692)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(OCCCCCCCC(=O)NO)c2)c2cc3OCOc3cc12
Show InChI InChI=1/C35H40N2O10/c1-42-28-13-20(14-29(43-2)34(28)39)31-23-16-26-27(47-19-46-26)17-24(23)33(25-18-45-35(40)32(25)31)36-21-9-8-10-22(15-21)44-12-7-5-3-4-6-11-30(38)37-41/h8-10,13-17,25,31-33,36,39,41H,3-7,11-12,18-19H2,1-2H3,(H,37,38)/t25-,31+,32-,33+/s2
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n/an/a 69n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Bioorg Med Chem 21: 6981-95 (2013)


Article DOI: 10.1016/j.bmc.2013.09.023
BindingDB Entry DOI: 10.7270/Q2CC124T
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50442721
PNG
(CHEMBL2442797)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12
Show InChI InChI=1/C33H36N2O10/c1-40-26-12-18(13-27(41-2)32(26)37)29-21-14-24-25(45-17-44-24)15-22(21)31(23-16-43-33(38)30(23)29)34-19-7-9-20(10-8-19)42-11-5-3-4-6-28(36)35-39/h7-10,12-15,23,29-31,34,37,39H,3-6,11,16-17H2,1-2H3,(H,35,36)/t23-,29+,30-,31+/s2
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n/an/a 69n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Bioorg Med Chem 21: 6981-95 (2013)


Article DOI: 10.1016/j.bmc.2013.09.023
BindingDB Entry DOI: 10.7270/Q2CC124T
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50467368
PNG
(CHEMBL4294551)
Show SMILES CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
Show InChI InChI=1S/C17H16N6S/c1-9-4-6-11(7-5-9)14-12-8-18-17(24-3)21-15(12)20-16-13(19-14)10(2)22-23-16/h4-8H,1-3H3,(H2,18,20,21,22,23)
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n/an/a 71n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using STK S2 as substrate after 40 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50467374
PNG
(CHEMBL4286642)
Show SMILES CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccccc2C)n1
Show InChI InChI=1S/C17H16N6S/c1-9-6-4-5-7-11(9)14-12-8-18-17(24-3)21-15(12)20-16-13(19-14)10(2)22-23-16/h4-8H,1-3H3,(H2,18,20,21,22,23)
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n/an/a 75n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using STK S2 as substrate after 40 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50278439
PNG
(CHEMBL4160042)
Show SMILES Cl.C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)C1CCNCC1
Show InChI InChI=1S/C16H22N2.ClH/c1-2-4-13-12(3-1)9-14-15(13)16(14)18-10-11-5-7-17-8-6-11;/h1-4,11,14-18H,5-10H2;1H/t14-,15+,16+;/m0./s1
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n/an/a 76n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...


Eur J Med Chem 141: 101-112 (2017)

More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50467363
PNG
(CHEMBL4280932)
Show SMILES Cc1[nH]nc2Nc3nc(ncc3C(=Nc12)c1ccc(C)cc1)N1CCCCC1
Show InChI InChI=1S/C21H23N7/c1-13-6-8-15(9-7-13)18-16-12-22-21(28-10-4-3-5-11-28)25-19(16)24-20-17(23-18)14(2)26-27-20/h6-9,12H,3-5,10-11H2,1-2H3,(H2,22,24,25,26,27)
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n/an/a 78n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using STK S2 as substrate after 40 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50442720
PNG
(CHEMBL2442798)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(OCCCCCC(=O)NO)c2)c2cc3OCOc3cc12
Show InChI InChI=1/C33H36N2O10/c1-40-26-11-18(12-27(41-2)32(26)37)29-21-14-24-25(45-17-44-24)15-22(21)31(23-16-43-33(38)30(23)29)34-19-7-6-8-20(13-19)42-10-5-3-4-9-28(36)35-39/h6-8,11-15,23,29-31,34,37,39H,3-5,9-10,16-17H2,1-2H3,(H,35,36)/t23-,29+,30-,31+/s2
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n/an/a 81n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Bioorg Med Chem 21: 6981-95 (2013)


Article DOI: 10.1016/j.bmc.2013.09.023
BindingDB Entry DOI: 10.7270/Q2CC124T
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50467376
PNG
(CHEMBL4280119)
Show SMILES CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccccc2Cl)n1
Show InChI InChI=1S/C16H13ClN6S/c1-8-12-15(23-22-8)20-14-10(7-18-16(21-14)24-2)13(19-12)9-5-3-4-6-11(9)17/h3-7H,1-2H3,(H2,18,20,21,22,23)
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n/an/a 84n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells after 60 mins by...


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50467375
PNG
(CHEMBL4286011)
Show SMILES Cc1[nH]nc2Nc3nc(NC(C)(C)C)ncc3C(=Nc12)c1ccc(C)cc1
Show InChI InChI=1S/C20H23N7/c1-11-6-8-13(9-7-11)16-14-10-21-19(25-20(3,4)5)24-17(14)23-18-15(22-16)12(2)26-27-18/h6-10H,1-5H3,(H3,21,23,24,25,26,27)
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n/an/a 85n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells after 60 mins by...


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50467380
PNG
(CHEMBL4289433)
Show SMILES CN1CCN(CC1)c1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccc(C)cc2)n1
Show InChI InChI=1S/C21H24N8/c1-13-4-6-15(7-5-13)18-16-12-22-21(29-10-8-28(3)9-11-29)25-19(16)24-20-17(23-18)14(2)26-27-20/h4-7,12H,8-11H2,1-3H3,(H2,22,24,25,26,27)
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n/an/a 86n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using STK S2 as substrate after 30 mins by HTRF assay


Eur J Med Chem 158: 428-441 (2018)

More data for this
Ligand-Target Pair
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