Found 156 hits with Last Name = 'zwergel' and Initial = 'c' 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 |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50241662
(CHEMBL4104741)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Dissociation constant against VEGF (vascular endothelial growth factor) was determined. |
Citation and Details
|
More data for this Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50410563
(CHEMBL5268403)Show SMILES Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c([nH]1)C(=O)Nc1cccc(c1)C(O)=O |TLB:19:14:21:18.20.17,19:18:21:14.13.15,THB:17:16:13:18.20.19,17:18:13:16.21.15| Show InChI InChI=1S/C30H33N3O3/c1-18-5-2-3-8-24(18)27-32-25(9-10-30-15-19-11-20(16-30)13-21(12-19)17-30)26(33-27)28(34)31-23-7-4-6-22(14-23)29(35)36/h2-8,14,19-21H,9-13,15-17H2,1H3,(H,31,34)(H,32,33)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Dissociation constant against VEGF (vascular endothelial growth factor) was determined. |
Citation and Details
|
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| PDB
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Dihydrofolate reductase in Escherichia coli |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50087845
(CHEMBL3426803)Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC6 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50540804
(CHEMBL4639495)Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50087841
(CHEMBL3426804)Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1 Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE 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 |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC6 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50087845
(CHEMBL3426803)Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50087845
(CHEMBL3426803)Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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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 |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC10 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 1
(Homo sapiens (Human)) | BDBM50208827
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes. |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50208827
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50087841
(CHEMBL3426804)Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1 Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+ | PDB
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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50251697
(CHEMBL4093222)Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc4ccccc4c3oc(=O)c21 |c:2| Show InChI InChI=1S/C21H10O4/c22-16-9-10-17(23)18-15(16)8-7-13-14-6-5-11-3-1-2-4-12(11)20(14)25-21(24)19(13)18/h1-10H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50087845
(CHEMBL3426803)Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM50087845
(CHEMBL3426803)Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC11 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50087845
(CHEMBL3426803)Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC2 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50448484
(CHEMBL3126646)Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| DrugBank PDB Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50251724
(CHEMBL4066424)Show SMILES CCN(CC)c1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:19| Show InChI InChI=1S/C21H17NO4/c1-3-22(4-2)12-5-6-13-14-7-8-15-16(23)9-10-17(24)19(15)20(14)21(25)26-18(13)11-12/h5-11H,3-4H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50410560
(CHEMBL5283723)Show SMILES Cc1cc(C)c(-c2nc(CCC34CC5CC(CC(C5)C3)C4)c([nH]2)C(=O)Nc2cccc(c2)C(O)=O)c(C)c1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14| Show InChI InChI=1S/C32H37N3O3/c1-18-9-19(2)27(20(3)10-18)29-34-26(7-8-32-15-21-11-22(16-32)13-23(12-21)17-32)28(35-29)30(36)33-25-6-4-5-24(14-25)31(37)38/h4-6,9-10,14,21-23H,7-8,11-13,15-17H2,1-3H3,(H,33,36)(H,34,35)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Dihydrofolate reductase in Escherichia coli |
Citation and Details
|
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(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
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
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| DrugBank Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50448487
(CHEMBL2385821)Show SMILES Cc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-20-5-4-6-21(16-20)33-26(35)18-9-11-19(12-10-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34) | 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 |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(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) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC5 using AMC-K(TFA)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50251670
(CHEMBL4085485)Show SMILES Fc1ccc2oc(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12| Show InChI InChI=1S/C17H7FO4/c18-8-1-6-14-11(7-8)9-2-3-10-12(19)4-5-13(20)15(10)16(9)17(21)22-14/h1-7H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC4 using AMC-K(TFA)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50087845
(CHEMBL3426803)Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC8 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50087841
(CHEMBL3426804)Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1 Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC8 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50448489
(CHEMBL3126651)Show SMILES O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(Nc2ccnc3ccccc23)cc1 Show InChI InChI=1S/C31H23N5O/c37-31(21-9-11-22(12-10-21)34-29-17-19-32-27-7-3-1-5-25(27)29)36-24-15-13-23(14-16-24)35-30-18-20-33-28-8-4-2-6-26(28)30/h1-20H,(H,32,34)(H,33,35)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50251672
(CHEMBL4060132)Show SMILES Fc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H7FO4/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50251671
(CHEMBL4097725)Show SMILES Clc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H7ClO4/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50251688
(CHEMBL4086414)Show SMILES Oc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H8O5/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7,18H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50540804
(CHEMBL4639495)Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50430056
(CHEMBL2336409 | SGI-1027)Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
More data for this Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50259910
(CHEMBL4097892)Show SMILES [H][C@@]12C[C@H](Cc3cccc(OC)c3)CN(C)[C@@]1([H])Cc1cccc(OC)c1C2 |r| Show InChI InChI=1S/C23H29NO2/c1-24-15-17(10-16-6-4-8-20(12-16)25-2)11-19-13-21-18(14-22(19)24)7-5-9-23(21)26-3/h4-9,12,17,19,22H,10-11,13-15H2,1-3H3/t17-,19-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Dihydrofolate reductase in Escherichia coli |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50251687
(CHEMBL4066643)Show SMILES COc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:16| Show InChI InChI=1S/C18H10O5/c1-22-9-2-3-10-11-4-5-12-13(19)6-7-14(20)16(12)17(11)18(21)23-15(10)8-9/h2-8H,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50251723
(CHEMBL4094178)Show SMILES Cc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C18H10O4/c1-9-2-3-10-11-4-5-12-13(19)6-7-14(20)16(12)17(11)18(21)22-15(10)8-9/h2-8H,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 1
(Homo sapiens (Human)) | BDBM50251724
(CHEMBL4066424)Show SMILES CCN(CC)c1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:19| Show InChI InChI=1S/C21H17NO4/c1-3-22(4-2)12-5-6-13-14-7-8-15-16(23)9-10-17(24)19(15)20(14)21(25)26-18(13)11-12/h5-11H,3-4H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50087841
(CHEMBL3426804)Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1 Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+ | 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 | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Ortopedico Rizzoli (IOR)
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 (unknown origin) by homogeneous fluorescence release assay |
J Med Chem 58: 4073-9 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50251732
(CHEMBL4075821)Show SMILES Clc1ccc2oc(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12| Show InChI InChI=1S/C17H7ClO4/c18-8-1-6-14-11(7-8)9-2-3-10-12(19)4-5-13(20)15(10)16(9)17(21)22-14/h1-7H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50540804
(CHEMBL4639495)Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
M-phase inducer phosphatase 1
(Homo sapiens (Human)) | BDBM50251697
(CHEMBL4093222)Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc4ccccc4c3oc(=O)c21 |c:2| Show InChI InChI=1S/C21H10O4/c22-16-9-10-17(23)18-15(16)8-7-13-14-6-5-11-3-1-2-4-12(11)20(14)25-21(24)19(13)18/h1-10H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223984
(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)Show SMILES COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C |r| Show InChI InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB
| n/a | n/a | 1.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeae |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
M-phase inducer phosphatase 1
(Homo sapiens (Human)) | BDBM50251671
(CHEMBL4097725)Show SMILES Clc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H7ClO4/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s... |
Eur J Med Chem 134: 316-333 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311 |
More data for this Ligand-Target Pair | |