Found 78 hits with Last Name = 'schwienhorst' and Initial = 'a' 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 |
Prothrombin
(Homo sapiens (Human)) | BDBM50245500
(CHEMBL447547 | N-[(2S)-1-(2-{[(1R)-1-{[(1R)-5-carb...)Show SMILES NC(N)=NCCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CCN1C(=O)[C@H](CC1CCCCC1)NC(=O)C1CC[C@H](CN=C(N)N)CC1)C(N)=O |r,wU:12.21,30.40,wD:8.8,44.47,(.24,3.73,;1.02,2.4,;.26,1.06,;2.56,2.41,;3.34,1.08,;4.88,1.09,;5.66,-.24,;7.2,-.23,;7.97,-1.56,;7.21,-2.9,;5.67,-2.91,;4.89,-1.58,;4.91,-4.25,;5.69,-5.58,;7.23,-5.57,;8,-6.9,;9.53,-6.89,;10.3,-5.55,;11.84,-5.54,;9.51,-4.21,;7.99,-4.23,;3.37,-4.26,;2.61,-5.59,;3.38,-6.92,;1.07,-5.6,;-.03,-4.52,;-1.11,-5.61,;-.02,-6.71,;-.02,-8.25,;1.32,-9.01,;-1.35,-9.02,;-2.68,-8.25,;-4.01,-9.03,;-5.35,-8.26,;-6.68,-9.03,;-6.68,-10.57,;-5.34,-11.34,;-4,-10.57,;-1.34,-10.56,;-0,-11.33,;1.33,-10.55,;0,-12.87,;1.34,-13.63,;1.34,-15.18,;.01,-15.95,;.01,-17.49,;-1.33,-18.26,;-1.33,-19.8,;-2.66,-20.57,;.01,-20.57,;-1.33,-15.18,;-1.33,-13.64,;9.51,-1.55,;10.28,-.22,;10.29,-2.88,)| Show InChI InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26?,28-,29-,30+,31?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biochemie
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Eur J Med Chem 43: 1330-5 (2008)
Article DOI: 10.1016/j.ejmech.2007.07.019 BindingDB Entry DOI: 10.7270/Q2SB45JZ |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Binding affinity to Bordetella/Alcaligenes strain FB188 HDAC by FRET assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM50293703
(2-ethyl-3-methoxy-6-methyl-5-(11-oxododecyl)cycloh...)Show SMILES CCc1c(O)c(C)c(C=CCCCCCCCCC(C)=O)c(O)c1OC |w:8.7| Show InChI InChI=1S/C22H34O4/c1-5-18-20(24)17(3)19(21(25)22(18)26-4)15-13-11-9-7-6-8-10-12-14-16(2)23/h13,15,24-25H,5-12,14H2,1-4H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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Similars
| PDB Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM50293704
(1,1,1-trifluoro-7-(1H-naphtho[2,3-d]imidazol-2-yl)...)Show InChI InChI=1S/C18H17F3N2O/c19-18(20,21)16(24)8-2-1-3-9-17-22-14-10-12-6-4-5-7-13(12)11-15(14)23-17/h4-7,10-11H,1-3,8-9H2,(H,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM50293705
(((2R,3S,4S,5R,6S)-6-((2R,3R,4S,5S,6R)-4,5-dihydrox...)Show SMILES CCCCCCCCCCCC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H52O12/c1-4-5-6-7-8-9-10-11-12-13-14-17(2)37-28-26(24(34)21(31)19(15-29)38-28)40-27-25(35)23(33)22(32)20(39-27)16-36-18(3)30/h17,19-29,31-35H,4-16H2,1-3H3/t17-,19-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Binding affinity to Bordetella/Alcaligenes strain FB188 HDAC by FRET assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM50293702
(11-(3-pentyloxiran-2-yl)undec-9-ynoic acid | CHEMB...)Show InChI InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-7,9-10,12-15H2,1H3,(H,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Binding affinity to Bordetella/Alcaligenes strain FB188 HDAC by FRET assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM50293705
(((2R,3S,4S,5R,6S)-6-((2R,3R,4S,5S,6R)-4,5-dihydrox...)Show SMILES CCCCCCCCCCCC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H52O12/c1-4-5-6-7-8-9-10-11-12-13-14-17(2)37-28-26(24(34)21(31)19(15-29)38-28)40-27-25(35)23(33)22(32)20(39-27)16-36-18(3)30/h17,19-29,31-35H,4-16H2,1-3H3/t17-,19-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM50293702
(11-(3-pentyloxiran-2-yl)undec-9-ynoic acid | CHEMB...)Show InChI InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-7,9-10,12-15H2,1H3,(H,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Displacement of Atto700-HA from Bordetella/Alcaligenes strain FB188 HDAH by fluorescence anisotropy |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50154337
(6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...)Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C26H37N5O6/c1-26(2)25(36)28-19(16-17-10-5-3-6-11-17)24(35)31-15-9-13-20(31)23(34)27-18(22(33)29-26)12-7-4-8-14-21(32)30-37/h3,5-6,10-11,18-20,37H,4,7-9,12-16H2,1-2H3,(H,27,34)(H,28,36)(H,29,33)(H,30,32)/t18-,19-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human NIH3T3 cells by radiometric histone deacetylation assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50154337
(6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...)Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C26H37N5O6/c1-26(2)25(36)28-19(16-17-10-5-3-6-11-17)24(35)31-15-9-13-20(31)23(34)27-18(22(33)29-26)12-7-4-8-14-21(32)30-37/h3,5-6,10-11,18-20,37H,4,7-9,12-16H2,1-2H3,(H,27,34)(H,28,36)(H,29,33)(H,30,32)/t18-,19-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(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 PDB Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 by fluorogenic enzyme assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50154337
(6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...)Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C26H37N5O6/c1-26(2)25(36)28-19(16-17-10-5-3-6-11-17)24(35)31-15-9-13-20(31)23(34)27-18(22(33)29-26)12-7-4-8-14-21(32)30-37/h3,5-6,10-11,18-20,37H,4,7-9,12-16H2,1-2H3,(H,27,34)(H,28,36)(H,29,33)(H,30,32)/t18-,19-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human NIH3T3 cells by radiometric histone deacetylation assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 by fluorogenic enzyme assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50375534
(CHEMBL259517)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C30H34N2O5/c1-37-30(35)27(31-28(33)11-7-2-3-8-12-29(34)32-36)21-22-13-15-24(16-14-22)26-19-17-25(18-20-26)23-9-5-4-6-10-23/h4-6,9-10,13-20,27,36H,2-3,7-8,11-12,21H2,1H3,(H,31,33)(H,32,34)/t27-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50082665
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50115659
((S)-3-biphenyl-4-yl-2-(7-hydroxycarbamoyl-heptanoy...)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C24H30N2O5/c1-31-24(29)21(25-22(27)11-7-2-3-8-12-23(28)26-30)17-18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-6,9-10,13-16,21,30H,2-3,7-8,11-12,17H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50375542
(CHEMBL261492)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C22H28N2O5S/c1-29-22(27)18(23-20(25)8-4-2-3-5-9-21(26)24-28)15-16-10-12-17(13-11-16)19-7-6-14-30-19/h6-7,10-14,18,28H,2-5,8-9,15H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50375540
(CHEMBL259708)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C22H28N2O5S/c1-29-22(27)19(23-20(25)6-4-2-3-5-7-21(26)24-28)14-16-8-10-17(11-9-16)18-12-13-30-15-18/h8-13,15,19,28H,2-7,14H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM50293704
(1,1,1-trifluoro-7-(1H-naphtho[2,3-d]imidazol-2-yl)...)Show InChI InChI=1S/C18H17F3N2O/c19-18(20,21)16(24)8-2-1-3-9-17-22-14-10-12-6-4-5-7-13(12)11-15(14)23-17/h4-7,10-11H,1-3,8-9H2,(H,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorogenic enzyme assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM50293703
(2-ethyl-3-methoxy-6-methyl-5-(11-oxododecyl)cycloh...)Show SMILES CCc1c(O)c(C)c(C=CCCCCCCCCC(C)=O)c(O)c1OC |w:8.7| Show InChI InChI=1S/C22H34O4/c1-5-18-20(24)17(3)19(21(25)22(18)26-4)15-13-11-9-7-6-8-10-12-14-16(2)23/h13,15,24-25H,5-12,14H2,1-4H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorogenic enzyme assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50375548
(CHEMBL259434)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C28H32N2O5/c1-35-28(33)25(29-26(31)10-4-2-3-5-11-27(32)30-34)18-20-12-14-22(15-13-20)24-17-16-21-8-6-7-9-23(21)19-24/h6-9,12-17,19,25,34H,2-5,10-11,18H2,1H3,(H,29,31)(H,30,32)/t25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50375534
(CHEMBL259517)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C30H34N2O5/c1-37-30(35)27(31-28(33)11-7-2-3-8-12-29(34)32-36)21-22-13-15-24(16-14-22)26-19-17-25(18-20-26)23-9-5-4-6-10-23/h4-6,9-10,13-20,27,36H,2-3,7-8,11-12,21H2,1H3,(H,31,33)(H,32,34)/t27-/m0/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 | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50082665
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50375534
(CHEMBL259517)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C30H34N2O5/c1-37-30(35)27(31-28(33)11-7-2-3-8-12-29(34)32-36)21-22-13-15-24(16-14-22)26-19-17-25(18-20-26)23-9-5-4-6-10-23/h4-6,9-10,13-20,27,36H,2-3,7-8,11-12,21H2,1H3,(H,31,33)(H,32,34)/t27-/m0/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 | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorimetric assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50375535
(CHEMBL264411)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccoc1)NC(=O)CCCCCCCC(=O)NO Show InChI InChI=1S/C23H30N2O6/c1-30-23(28)20(15-17-9-11-18(12-10-17)19-13-14-31-16-19)24-21(26)7-5-3-2-4-6-8-22(27)25-29/h9-14,16,20,29H,2-8,15H2,1H3,(H,24,26)(H,25,27)/t20-/m0/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 | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50115659
((S)-3-biphenyl-4-yl-2-(7-hydroxycarbamoyl-heptanoy...)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C24H30N2O5/c1-31-24(29)21(25-22(27)11-7-2-3-8-12-23(28)26-30)17-18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-6,9-10,13-16,21,30H,2-3,7-8,11-12,17H2,1H3,(H,25,27)(H,26,28)/t21-/m0/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 | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50375536
(CHEMBL409526)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccoc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C22H28N2O6/c1-29-22(27)19(23-20(25)6-4-2-3-5-7-21(26)24-28)14-16-8-10-17(11-9-16)18-12-13-30-15-18/h8-13,15,19,28H,2-7,14H2,1H3,(H,23,25)(H,24,26)/t19-/m0/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 | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50375548
(CHEMBL259434)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C28H32N2O5/c1-35-28(33)25(29-26(31)10-4-2-3-5-11-27(32)30-34)18-20-12-14-22(15-13-20)24-17-16-21-8-6-7-9-23(21)19-24/h6-9,12-17,19,25,34H,2-5,10-11,18H2,1H3,(H,29,31)(H,30,32)/t25-/m0/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 | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase-like amidohydrolase
(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of G£ttingen
Curated by ChEMBL
| Assay Description Inhibition of Bordetella/Alcaligenes strain FB188 HDAH by fluorimetric assay |
Bioorg Med Chem Lett 19: 3651-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.102 BindingDB Entry DOI: 10.7270/Q24T6JFV |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50115659
((S)-3-biphenyl-4-yl-2-(7-hydroxycarbamoyl-heptanoy...)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C24H30N2O5/c1-31-24(29)21(25-22(27)11-7-2-3-8-12-23(28)26-30)17-18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-6,9-10,13-16,21,30H,2-3,7-8,11-12,17H2,1H3,(H,25,27)(H,26,28)/t21-/m0/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 | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50375543
(CHEMBL261272)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCCC(=O)NO Show InChI InChI=1S/C25H32N2O5/c1-32-25(30)22(26-23(28)12-8-3-2-4-9-13-24(29)27-31)18-19-14-16-21(17-15-19)20-10-6-5-7-11-20/h5-7,10-11,14-17,22,31H,2-4,8-9,12-13,18H2,1H3,(H,26,28)(H,27,29)/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50375546
(CHEMBL406734)Show SMILES COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCC(=O)NO |r| Show InChI InChI=1S/C18H25BrN2O5/c1-26-18(24)15(12-13-8-10-14(19)11-9-13)20-16(22)6-4-2-3-5-7-17(23)21-25/h8-11,15,25H,2-7,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50375539
(CHEMBL264926)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)CCCCCCCC(=O)NO Show InChI InChI=1S/C23H30N2O5S/c1-30-23(28)20(15-17-9-11-18(12-10-17)19-13-14-31-16-19)24-21(26)7-5-3-2-4-6-8-22(27)25-29/h9-14,16,20,29H,2-8,15H2,1H3,(H,24,26)(H,25,27)/t20-/m0/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 | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50375545
(CHEMBL260080)Show SMILES COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCCC(=O)NO Show InChI InChI=1S/C19H27BrN2O5/c1-27-19(25)16(13-14-9-11-15(20)12-10-14)21-17(23)7-5-3-2-4-6-8-18(24)22-26/h9-12,16,26H,2-8,13H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50375537
(CHEMBL261587)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccco1)NC(=O)CCCCCCCC(=O)NO Show InChI InChI=1S/C23H30N2O6/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/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 | 2.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50375543
(CHEMBL261272)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCCC(=O)NO Show InChI InChI=1S/C25H32N2O5/c1-32-25(30)22(26-23(28)12-8-3-2-4-9-13-24(29)27-31)18-19-14-16-21(17-15-19)20-10-6-5-7-11-20/h5-7,10-11,14-17,22,31H,2-4,8-9,12-13,18H2,1H3,(H,26,28)(H,27,29)/t22-/m0/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 | 2.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50375537
(CHEMBL261587)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccco1)NC(=O)CCCCCCCC(=O)NO Show InChI InChI=1S/C23H30N2O6/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50375541
(CHEMBL409860)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCCC(=O)NO Show InChI InChI=1S/C23H30N2O5S/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50375538
(CHEMBL427776)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccco1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C22H28N2O6/c1-29-22(27)18(23-20(25)8-4-2-3-5-9-21(26)24-28)15-16-10-12-17(13-11-16)19-7-6-14-30-19/h6-7,10-14,18,28H,2-5,8-9,15H2,1H3,(H,23,25)(H,24,26)/t18-/m0/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 | 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50375544
(CHEMBL263884)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCCC(=O)NO Show InChI InChI=1S/C29H34N2O5/c1-36-29(34)26(30-27(32)11-5-3-2-4-6-12-28(33)31-35)19-21-13-15-23(16-14-21)25-18-17-22-9-7-8-10-24(22)20-25/h7-10,13-18,20,26,35H,2-6,11-12,19H2,1H3,(H,30,32)(H,31,33)/t26-/m0/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 | 2.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50082665
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50375548
(CHEMBL259434)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C28H32N2O5/c1-35-28(33)25(29-26(31)10-4-2-3-5-11-27(32)30-34)18-20-12-14-22(15-13-20)24-17-16-21-8-6-7-9-23(21)19-24/h6-9,12-17,19,25,34H,2-5,10-11,18H2,1H3,(H,29,31)(H,30,32)/t25-/m0/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 | 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Rattus norvegicus) | BDBM50375539
(CHEMBL264926)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)CCCCCCCC(=O)NO Show InChI InChI=1S/C23H30N2O5S/c1-30-23(28)20(15-17-9-11-18(12-10-17)19-13-14-31-16-19)24-21(26)7-5-3-2-4-6-8-22(27)25-29/h9-14,16,20,29H,2-8,15H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in rat liver extract |
Bioorg Med Chem 16: 2011-33 (2008)
Article DOI: 10.1016/j.bmc.2007.10.092 BindingDB Entry DOI: 10.7270/Q25T3MCZ |
More data for this Ligand-Target Pair | |