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Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'tekwani' and Initial = 'bl'   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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49n/an/an/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B after 30 mins


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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59n/an/an/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substra...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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124n/an/an/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrat...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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163n/an/an/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrat...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481553
PNG
(7-(2-Tolyl)Triazolylheptahydroxamamic Acid | CHEMB...)
Show SMILES Cc1ccccc1-c1cn(CCCCCCC(=O)NO)nn1
Show InChI InChI=1S/C16H22N4O2/c1-13-8-5-6-9-14(13)15-12-20(19-17-15)11-7-3-2-4-10-16(21)18-22/h5-6,8-9,12,22H,2-4,7,10-11H2,1H3,(H,18,21)
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n/an/a 2.80n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
Histone deacetylase


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50250840
PNG
(5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?
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n/an/a 5.60n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 6.70n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 10n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) after 15 mins by fluorescence assay


Bioorg Med Chem Lett 24: 4826-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.060
BindingDB Entry DOI: 10.7270/Q2HX1F7G
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
BDBM50324111
PNG
(CHEMBL1214760)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C2=NCCN3[C@H]([C@H]2C)[C@]1(C)OC3=O)OC |r,t:54|
Show InChI InChI=1S/C48H73N7O11/c1-11-37-48(8)42-30(4)39(49-21-23-55(42)46(60)66-48)28(2)25-47(7,62-10)43(31(5)40(57)32(6)44(59)64-37)65-45-41(58)36(24-29(3)63-45)53(9)26-33-17-19-34(20-18-33)35-27-54(52-50-35)22-15-13-12-14-16-38(56)51-61/h17-20,27-32,36-37,41-43,45,58,61H,11-16,21-26H2,1-10H3,(H,51,56)/t28-,29-,30+,31+,32-,36+,37-,41-,42-,43-,45+,47-,48-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum HDAC1


J Med Chem 53: 6100-11 (2010)


Article DOI: 10.1021/jm100507q
BindingDB Entry DOI: 10.7270/Q29Z954B
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 15n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Bioorg Med Chem Lett 24: 4826-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.060
BindingDB Entry DOI: 10.7270/Q2HX1F7G
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481551
PNG
(CHEMBL590567)
Show SMILES CN(C)c1ccc(cc1)-c1cn(CCCCCCCC(=O)NO)nn1
Show InChI InChI=1S/C18H27N5O2/c1-22(2)16-11-9-15(10-12-16)17-14-23(21-19-17)13-7-5-3-4-6-8-18(24)20-25/h9-12,14,25H,3-8,13H2,1-2H3,(H,20,24)
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n/an/a 16n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388006
PNG
(CHEMBL2058428)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)13(14(21)20(15)3)6-9-8-18-12-7-10(16)4-5-11(9)12/h4-8,18H,1-3H3/b13-6+,17-15-
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n/an/a 18n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM15339
PNG
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length C-terminal MYC/DDk-tagged DHODH using decylubiquinone as substrate measured for 1 hr by DCIP absorbance a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02183
BindingDB Entry DOI: 10.7270/Q2W3814Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387980
PNG
(CHEMBL2058417)
Show SMILES C\N=C1/NC(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
Show InChI InChI=1S/C14H13BrN4O/c1-16-14-18-13(20)12(19(14)2)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,17H,1-2H3,(H,16,18,20)/b12-5+
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n/an/a 29n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50321885
PNG
((E)-5-((1H-Indol-3yl)methylene)-2-imino-1,3-dimeth...)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15-16H,1-2H3/b12-7+,15-14?
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n/an/a 35n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
BDBM50324110
PNG
(CHEMBL1214759)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C2=NCCN3[C@H]([C@H]2C)[C@]1(C)OC3=O)OC |r,t:53|
Show InChI InChI=1S/C47H71N7O11/c1-11-36-47(8)41-29(4)38(48-20-22-54(41)45(59)65-47)27(2)24-46(7,61-10)42(30(5)39(56)31(6)43(58)63-36)64-44-40(57)35(23-28(3)62-44)52(9)25-32-16-18-33(19-17-32)34-26-53(51-49-34)21-14-12-13-15-37(55)50-60/h16-19,26-31,35-36,40-42,44,57,60H,11-15,20-25H2,1-10H3,(H,50,55)/t27-,28-,29+,30+,31-,35+,36-,40-,41-,42-,44+,46-,47-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum HDAC1


J Med Chem 53: 6100-11 (2010)


Article DOI: 10.1021/jm100507q
BindingDB Entry DOI: 10.7270/Q29Z954B
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
BDBM50324114
PNG
(CHEMBL1214761)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C2=NCCN3[C@H]([C@H]2C)[C@]1(C)OC3=O)OC |r,t:55|
Show InChI InChI=1S/C49H75N7O11/c1-11-38-49(8)43-31(4)40(50-22-24-56(43)47(61)67-49)29(2)26-48(7,63-10)44(32(5)41(58)33(6)45(60)65-38)66-46-42(59)37(25-30(3)64-46)54(9)27-34-18-20-35(21-19-34)36-28-55(53-51-36)23-16-14-12-13-15-17-39(57)52-62/h18-21,28-33,37-38,42-44,46,59,62H,11-17,22-27H2,1-10H3,(H,52,57)/t29-,30-,31+,32+,33-,37+,38-,42-,43-,44-,46+,48-,49-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum HDAC1


J Med Chem 53: 6100-11 (2010)


Article DOI: 10.1021/jm100507q
BindingDB Entry DOI: 10.7270/Q29Z954B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 49n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388014
PNG
(CHEMBL2058420)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3c(Br)cccc23)C1=O
Show InChI InChI=1S/C14H13BrN4O/c1-18-11(13(20)19(2)14(18)16)6-8-7-17-12-9(8)4-3-5-10(12)15/h3-7,16-17H,1-2H3/b11-6+,16-14?
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n/an/a 52n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481556
PNG
(9-(Phenyl)Triazolylnonahydroxamic Acid | CHEMBL591...)
Show SMILES ONC(=O)CCCCCCCCn1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C17H24N4O2/c22-17(19-23)12-8-3-1-2-4-9-13-21-14-16(18-20-21)15-10-6-5-7-11-15/h5-7,10-11,14,23H,1-4,8-9,12-13H2,(H,19,22)
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n/an/a 55n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
Histone deacetylase


(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 65n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388007
PNG
(CHEMBL2058427)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)13(14(21)20(15)3)6-9-8-18-12-5-4-10(16)7-11(9)12/h4-8,18H,1-3H3/b13-6+,17-15-
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n/an/a 85n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
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 85.5n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


J Med Chem 53: 6100-11 (2010)


Article DOI: 10.1021/jm100507q
BindingDB Entry DOI: 10.7270/Q29Z954B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388009
PNG
(METHYLAPLYSINOPSIN)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C
Show InChI InChI=1S/C15H16N4O/c1-16-15-18(2)13(14(20)19(15)3)8-10-9-17-12-7-5-4-6-11(10)12/h4-9,17H,1-3H3/b13-8+,16-15-
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n/an/a 98n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481554
PNG
(8-(3-Biphenyl)Triazolyloctahydroxamic Acid | CHEMB...)
Show SMILES ONC(=O)CCCCCCCn1cc(nn1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C22H26N4O2/c27-22(24-28)14-7-2-1-3-8-15-26-17-21(23-25-26)20-13-9-12-19(16-20)18-10-5-4-6-11-18/h4-6,9-13,16-17,28H,1-3,7-8,14-15H2,(H,24,27)
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n/an/a 109n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 121n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
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 130n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum HDAC1


J Med Chem 53: 6100-11 (2010)


Article DOI: 10.1021/jm100507q
BindingDB Entry DOI: 10.7270/Q29Z954B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50049391
PNG
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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n/an/a 130n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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n/an/a 143n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481560
PNG
(9-(3-Biphenyl)Triazolylnonahydroxamic Acid | CHEMB...)
Show SMILES ONC(=O)CCCCCCCCn1cc(nn1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C23H28N4O2/c28-23(25-29)15-8-3-1-2-4-9-16-27-18-22(24-26-27)21-14-10-13-20(17-21)19-11-6-5-7-12-19/h5-7,10-14,17-18,29H,1-4,8-9,15-16H2,(H,25,28)
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n/an/a 148n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50364475
PNG
(CHEMBL1950704)
Show SMILES COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O2/c1-14-10-12-28-21-18(29-15(2)5-4-11-27)13-19(30-3)22(20(14)21)31-17-8-6-16(7-9-17)23(24,25)26/h6-10,12-13,15,29H,4-5,11,27H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay


Bioorg Med Chem Lett 22: 1701-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.108
BindingDB Entry DOI: 10.7270/Q2KS6S12
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387981
PNG
(CHEMBL2058429)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3c(Br)cccc23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)12(14(21)20(15)3)7-9-8-18-13-10(9)5-4-6-11(13)16/h4-8,18H,1-3H3/b12-7+,17-15-
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n/an/a 153n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50250839
PNG
(6-bromo-2'-de-N-methylaplysinopsin | CHEMBL2058413...)
Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3|
Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17)
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n/an/a 165n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50388006
PNG
(CHEMBL2058428)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cc(Br)ccc23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)13(14(21)20(15)3)6-9-8-18-12-7-10(16)4-5-11(9)12/h4-8,18H,1-3H3/b13-6+,17-15-
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n/an/a 207n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50324111
PNG
(CHEMBL1214760)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C2=NCCN3[C@H]([C@H]2C)[C@]1(C)OC3=O)OC |r,t:54|
Show InChI InChI=1S/C48H73N7O11/c1-11-37-48(8)42-30(4)39(49-21-23-55(42)46(60)66-48)28(2)25-47(7,62-10)43(31(5)40(57)32(6)44(59)64-37)65-45-41(58)36(24-29(3)63-45)53(9)26-33-17-19-34(20-18-33)35-27-54(52-50-35)22-15-13-12-14-16-38(56)51-61/h17-20,27-32,36-37,41-43,45,58,61H,11-16,21-26H2,1-10H3,(H,51,56)/t28-,29-,30+,31+,32-,36+,37-,41-,42-,43-,45+,47-,48-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


J Med Chem 53: 6100-11 (2010)


Article DOI: 10.1021/jm100507q
BindingDB Entry DOI: 10.7270/Q29Z954B
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481558
PNG
(CHEMBL589664)
Show SMILES ONC(=O)CCCCCCCn1cc(nn1)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C21H25N5O2/c27-21(24-28)6-4-2-1-3-5-15-26-16-20(23-25-26)19-9-7-17(8-10-19)18-11-13-22-14-12-18/h7-14,16,28H,1-6,15H2,(H,24,27)
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n/an/a 213n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481555
PNG
(CHEMBL590872)
Show SMILES COc1ccc2cc(ccc2c1)-c1cn(CCCCCCCC(=O)NO)nn1
Show InChI InChI=1S/C21H26N4O3/c1-28-19-11-10-16-13-18(9-8-17(16)14-19)20-15-25(24-22-20)12-6-4-2-3-5-7-21(26)23-27/h8-11,13-15,27H,2-7,12H2,1H3,(H,23,26)
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n/an/a 226n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388015
PNG
(CHEMBL1170237)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3ccc(Br)cc23)C1=O
Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-4-3-9(15)6-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?
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n/an/a 236n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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n/an/a 238n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometr...


J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
BindingDB Entry DOI: 10.7270/Q26W9DHJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388018
PNG
(CHEMBL2058416)
Show SMILES C\N=C1/NC(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C
Show InChI InChI=1S/C14H13BrN4O/c1-16-14-18-13(20)12(19(14)2)5-8-7-17-11-4-3-9(15)6-10(8)11/h3-7,17H,1-2H3,(H,16,18,20)/b12-5+
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n/an/a 263n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50387995
PNG
(CHEMBL2058694)
Show SMILES Brc1cccc2[nH]cc(\C=C3/NC(=S)NC3=O)c12
Show InChI InChI=1S/C12H8BrN3OS/c13-7-2-1-3-8-10(7)6(5-14-8)4-9-11(17)16-12(18)15-9/h1-5,14H,(H2,15,16,17,18)/b9-4-
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n/an/a 267n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
BDBM50324113
PNG
(CHEMBL1214762)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C2=NCCN3[C@H]([C@H]2C)[C@]1(C)OC3=O)OC |r,t:56|
Show InChI InChI=1S/C50H77N7O11/c1-11-39-50(8)44-32(4)41(51-23-25-57(44)48(62)68-50)30(2)27-49(7,64-10)45(33(5)42(59)34(6)46(61)66-39)67-47-43(60)38(26-31(3)65-47)55(9)28-35-19-21-36(22-20-35)37-29-56(54-52-37)24-17-15-13-12-14-16-18-40(58)53-63/h19-22,29-34,38-39,43-45,47,60,63H,11-18,23-28H2,1-10H3,(H,53,58)/t30-,31-,32+,33+,34-,38+,39-,43-,44-,45-,47+,49-,50-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum HDAC1


J Med Chem 53: 6100-11 (2010)


Article DOI: 10.1021/jm100507q
BindingDB Entry DOI: 10.7270/Q29Z954B
More data for this
Ligand-Target Pair
Histone deacetylase


(Plasmodium falciparum (isolate 3D7))
BDBM50324112
PNG
(CHEMBL1214763)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C2=NCCN3[C@H]([C@H]2C)[C@]1(C)OC3=O)OC |r,t:57|
Show InChI InChI=1S/C51H79N7O11/c1-11-40-51(8)45-33(4)42(52-24-26-58(45)49(63)69-51)31(2)28-50(7,65-10)46(34(5)43(60)35(6)47(62)67-40)68-48-44(61)39(27-32(3)66-48)56(9)29-36-20-22-37(23-21-36)38-30-57(55-53-38)25-18-16-14-12-13-15-17-19-41(59)54-64/h20-23,30-35,39-40,44-46,48,61,64H,11-19,24-29H2,1-10H3,(H,54,59)/t31-,32-,33+,34+,35-,39+,40-,44-,45-,46-,48+,50-,51-/m1/s1
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n/an/a 304n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum HDAC1


J Med Chem 53: 6100-11 (2010)


Article DOI: 10.1021/jm100507q
BindingDB Entry DOI: 10.7270/Q29Z954B
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50576030
PNG
(CHEMBL4860581)
Show SMILES COc1cc2CCCCCc2cc1C(=O)Nc1ccc(cc1)C(C)(C)C#N
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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length C-terminal MYC/DDk-tagged DHODH using decylubiquinone as substrate measured for 1 hr by DCIP absorbance a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02183
BindingDB Entry DOI: 10.7270/Q2W3814Z
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50388021
PNG
(CHEMBL2058412)
Show SMILES CN1C(N)=NC(=Cc2c[nH]c3ccc(Br)cc23)C1=O |w:6.6,c:3|
Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-3-2-8(14)5-9(7)10/h2-6,16H,1H3,(H2,15,17)
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n/an/a 327n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481550
PNG
(8-(Phenyl)Triazolyloctahydroxamic Acid | CHEMBL591...)
Show SMILES ONC(=O)CCCCCCCn1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C16H22N4O2/c21-16(18-22)11-7-2-1-3-8-12-20-13-15(17-19-20)14-9-5-4-6-10-14/h4-6,9-10,13,22H,1-3,7-8,11-12H2,(H,18,21)
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n/an/a 364n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481557
PNG
(CHEMBL589605)
Show SMILES ONC(=O)CCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C14H19N5O2/c20-14(17-21)7-3-1-2-4-9-19-11-13(16-18-19)12-6-5-8-15-10-12/h5-6,8,10-11,21H,1-4,7,9H2,(H,17,20)
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n/an/a 366n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay


Bioorg Med Chem 18: 415-25 (2010)


Article DOI: 10.1016/j.bmc.2009.10.042
BindingDB Entry DOI: 10.7270/Q2RV0RJB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50388007
PNG
(CHEMBL2058427)
Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C
Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)13(14(21)20(15)3)6-9-8-18-12-5-4-10(16)7-11(9)12/h4-8,18H,1-3H3/b13-6+,17-15-
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n/an/a 370n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric ana...


Bioorg Med Chem Lett 22: 4926-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.058
BindingDB Entry DOI: 10.7270/Q21Z45GF
More data for this
Ligand-Target Pair
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