Found 247 hits with Last Name = 'tekwani' and Initial = 'bl' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM23415
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 163 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(7-(2-Tolyl)Triazolylheptahydroxamamic Acid | CHEMB...)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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50250840
(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? | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50397360
(CHEMBL2170177 | US10188756, Compound CN110)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL590567)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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50387980
(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+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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
((E)-5-((1H-Indol-3yl)methylene)-2-imino-1,3-dimeth...)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? | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/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
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/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
(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? | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/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
(9-(Phenyl)Triazolylnonahydroxamic Acid | CHEMBL591...)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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50388007
(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- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 85.5 | n/a | n/a | n/a | n/a | n/a | n/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
(METHYLAPLYSINOPSIN)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- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/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
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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) | KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 153 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL590872)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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/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
(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? | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 236 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 238 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2058694)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- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 267 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 304 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4860581)Show SMILES COc1cc2CCCCCc2cc1C(=O)Nc1ccc(cc1)C(C)(C)C#N | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/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
(8-(Phenyl)Triazolyloctahydroxamic Acid | CHEMBL591...)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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 364 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL589605)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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 366 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/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 | |