Found 226 hits with Last Name = 'ramanujulu' and Initial = 'pm' 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 |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50462728
(CHEMBL4242626)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCC#N)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C26H29N9O3/c27-13-5-15-35-17-18(16-29-35)24-21-12-14-28-25(21)33-26(32-24)31-20-10-8-19(9-11-20)30-22(36)6-3-1-2-4-7-23(37)34-38/h8-12,14,16-17,38H,1-7,15H2,(H,30,36)(H,34,37)(H2,28,31,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50462726
(CHEMBL4247128)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCC=C)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C27H32N8O3/c1-2-3-16-35-18-19(17-29-35)25-22-14-15-28-26(22)33-27(32-25)31-21-12-10-20(11-13-21)30-23(36)8-6-4-5-7-9-24(37)34-38/h2,10-15,17-18,38H,1,3-9,16H2,(H,30,36)(H,34,37)(H2,28,31,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50355501
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] as substrate in presence of [gamma-33P]-ATP |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50355501
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50250140
(CHEMBL4098975)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(NCCCn2cc(cn2)-c2ncnc3[nH]ccc23)cc1 Show InChI InChI=1S/C26H32N8O3/c35-23(6-3-1-2-4-7-24(36)33-37)32-21-10-8-20(9-11-21)27-13-5-15-34-17-19(16-31-34)25-22-12-14-28-26(22)30-18-29-25/h8-12,14,16-18,27,37H,1-7,13,15H2,(H,32,35)(H,33,36)(H,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in pres... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50462723
(CHEMBL4243458)Show SMILES CCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O3/c1-2-15-34-17-18(16-28-34)24-21-13-14-27-25(21)32-26(31-24)30-20-11-9-19(10-12-20)29-22(35)7-5-3-4-6-8-23(36)33-37/h9-14,16-17,37H,2-8,15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50462724
(CHEMBL4243347)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cn[nH]c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C23H26N8O3/c32-19(5-3-1-2-4-6-20(33)31-34)27-16-7-9-17(10-8-16)28-23-29-21(15-13-25-26-14-15)18-11-12-24-22(18)30-23/h7-14,34H,1-6H2,(H,25,26)(H,27,32)(H,31,33)(H2,24,28,29,30) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50462726
(CHEMBL4247128)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCC=C)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C27H32N8O3/c1-2-3-16-35-18-19(17-29-35)25-22-14-15-28-26(22)33-27(32-25)31-21-12-10-20(11-13-21)30-23(36)8-6-4-5-7-9-24(37)34-38/h2,10-15,17-18,38H,1,3-9,16H2,(H,30,36)(H,34,37)(H2,28,31,32,33) | 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 | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50504583
(CHEMBL4444554)Show SMILES COc1cc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC Show InChI InChI=1S/C36H45N7O5/c1-47-31-22-29-30(23-32(31)48-2)40-36(41-35(29)38-28-18-20-43(21-19-28)24-25-10-6-5-7-11-25)39-27-16-14-26(15-17-27)37-33(44)12-8-3-4-9-13-34(45)42-46/h5-7,10-11,14-17,22-23,28,46H,3-4,8-9,12-13,18-21,24H2,1-2H3,(H,37,44)(H,42,45)(H2,38,39,40,41) | 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 | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111755 BindingDB Entry DOI: 10.7270/Q2ZS30T4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50462728
(CHEMBL4242626)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCC#N)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C26H29N9O3/c27-13-5-15-35-17-18(16-29-35)24-21-12-14-28-25(21)33-26(32-24)31-20-10-8-19(9-11-20)30-22(36)6-3-1-2-4-7-23(37)34-38/h8-12,14,16-17,38H,1-7,15H2,(H,30,36)(H,34,37)(H2,28,31,32,33) | 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 | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50250142
(CHEMBL4091233)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(CCCn2cc(cn2)-c2ncnc3[nH]ccc23)cc1 Show InChI InChI=1S/C26H31N7O3/c34-23(7-3-1-2-4-8-24(35)32-36)31-21-11-9-19(10-12-21)6-5-15-33-17-20(16-30-33)25-22-13-14-27-26(22)29-18-28-25/h9-14,16-18,36H,1-8,15H2,(H,31,34)(H,32,35)(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in pres... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50462724
(CHEMBL4243347)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cn[nH]c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C23H26N8O3/c32-19(5-3-1-2-4-6-20(33)31-34)27-16-7-9-17(10-8-16)28-23-29-21(15-13-25-26-14-15)18-11-12-24-22(18)30-23/h7-14,34H,1-6H2,(H,25,26)(H,27,32)(H,31,33)(H2,24,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210257
(CHEMBL3961053)Show SMILES ONC(=O)C1CCN(CCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)CC1 |t:31| Show InChI InChI=1S/C30H35N5O5/c36-29(34-37)23-9-12-35(13-10-23)14-17-40-28-7-6-26-19-25(28)21-39-16-2-1-15-38-20-22-4-3-5-24(18-22)27-8-11-31-30(32-26)33-27/h1-8,11,18-19,23,37H,9-10,12-17,20-21H2,(H,34,36)(H,31,32,33)/b2-1+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210177
(ONX-0803 | Pacritinib | SB-1518 | SB1518)Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:29| Show InChI InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50250136
(CHEMBL4095596)Show InChI InChI=1S/C17H22N6O2/c1-12(5-3-2-4-6-15(24)22-25)23-10-13(9-21-23)16-14-7-8-18-17(14)20-11-19-16/h7-12,25H,2-6H2,1H3,(H,22,24)(H,18,19,20) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in pres... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210176
(CHEMBL3924682)Show SMILES ONC(=O)c1ccc(OCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1 |t:32| Show InChI InChI=1S/C31H30N4O6/c36-30(35-37)23-6-9-27(10-7-23)40-16-17-41-29-11-8-26-19-25(29)21-39-15-2-1-14-38-20-22-4-3-5-24(18-22)28-12-13-32-31(33-26)34-28/h1-13,18-19,37H,14-17,20-21H2,(H,35,36)(H,32,33,34)/b2-1+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50250135
(CHEMBL4060201)Show InChI InChI=1S/C16H20N6O2/c23-14(21-24)5-3-1-2-4-8-22-10-12(9-20-22)15-13-6-7-17-16(13)19-11-18-15/h6-7,9-11,24H,1-5,8H2,(H,21,23)(H,17,18,19) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in pres... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210167
(CHEMBL3917405)Show SMILES ONC(=O)CCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:31| Show InChI InChI=1S/C29H34N4O5/c34-28(33-35)10-3-1-2-4-17-38-27-12-11-25-19-24(27)21-37-16-6-5-15-36-20-22-8-7-9-23(18-22)26-13-14-30-29(31-25)32-26/h5-9,11-14,18-19,35H,1-4,10,15-17,20-21H2,(H,33,34)(H,30,31,32)/b6-5+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50462723
(CHEMBL4243458)Show SMILES CCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O3/c1-2-15-34-17-18(16-28-34)24-21-13-14-27-25(21)32-26(31-24)30-20-11-9-19(10-12-20)29-22(35)7-5-3-4-6-8-23(36)33-37/h9-14,16-17,37H,2-8,15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210174
(CHEMBL3915689)Show SMILES ONC(=O)c1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1 |t:32| Show InChI InChI=1S/C31H31N5O5/c37-30(36-38)23-6-8-26(9-7-23)32-14-17-41-29-11-10-27-19-25(29)21-40-16-2-1-15-39-20-22-4-3-5-24(18-22)28-12-13-33-31(34-27)35-28/h1-13,18-19,32,38H,14-17,20-21H2,(H,36,37)(H,33,34,35)/b2-1+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50250144
(CHEMBL4069283)Show InChI InChI=1S/C17H22N6O2/c24-15(22-25)6-4-2-1-3-5-9-23-11-13(10-21-23)16-14-7-8-18-17(14)20-12-19-16/h7-8,10-12,25H,1-6,9H2,(H,22,24)(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in pres... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111755 BindingDB Entry DOI: 10.7270/Q2ZS30T4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50462724
(CHEMBL4243347)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cn[nH]c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C23H26N8O3/c32-19(5-3-1-2-4-6-20(33)31-34)27-16-7-9-17(10-8-16)28-23-29-21(15-13-25-26-14-15)18-11-12-24-22(18)30-23/h7-14,34H,1-6H2,(H,25,26)(H,27,32)(H,31,33)(H2,24,28,29,30) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50210167
(CHEMBL3917405)Show SMILES ONC(=O)CCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:31| Show InChI InChI=1S/C29H34N4O5/c34-28(33-35)10-3-1-2-4-17-38-27-12-11-25-19-24(27)21-37-16-6-5-15-36-20-22-8-7-9-23(18-22)26-13-14-30-29(31-25)32-26/h5-9,11-14,18-19,35H,1-4,10,15-17,20-21H2,(H,33,34)(H,30,31,32)/b6-5+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells preincubated with enzyme followed... |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50462719
(CHEMBL4250891)Show SMILES COCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O4/c1-38-15-14-34-17-18(16-28-34)24-21-12-13-27-25(21)32-26(31-24)30-20-10-8-19(9-11-20)29-22(35)6-4-2-3-5-7-23(36)33-37/h8-13,16-17,37H,2-7,14-15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50462727
(CHEMBL4237600)Show SMILES CS(=O)(=O)CCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O5S/c1-40(38,39)15-14-34-17-18(16-28-34)24-21-12-13-27-25(21)32-26(31-24)30-20-10-8-19(9-11-20)29-22(35)6-4-2-3-5-7-23(36)33-37/h8-13,16-17,37H,2-7,14-15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50462719
(CHEMBL4250891)Show SMILES COCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O4/c1-38-15-14-34-17-18(16-28-34)24-21-12-13-27-25(21)32-26(31-24)30-20-10-8-19(9-11-20)29-22(35)6-4-2-3-5-7-23(36)33-37/h8-13,16-17,37H,2-7,14-15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210190
(CHEMBL3964125)Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1 |t:40| Show InChI InChI=1S/C38H43N5O6/c44-36(10-3-1-2-4-11-37(45)46)41-32-14-12-31(13-15-32)39-20-23-49-35-17-16-33-25-30(35)27-48-22-6-5-21-47-26-28-8-7-9-29(24-28)34-18-19-40-38(42-33)43-34/h5-9,12-19,24-25,39H,1-4,10-11,20-23,26-27H2,(H,41,44)(H,45,46)(H,40,42,43)/b6-5+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50210173
(CHEMBL3972157)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1 |t:41| Show InChI InChI=1S/C38H44N6O6/c45-36(10-3-1-2-4-11-37(46)44-47)41-32-14-12-31(13-15-32)39-20-23-50-35-17-16-33-25-30(35)27-49-22-6-5-21-48-26-28-8-7-9-29(24-28)34-18-19-40-38(42-33)43-34/h5-9,12-19,24-25,39,47H,1-4,10-11,20-23,26-27H2,(H,41,45)(H,44,46)(H,40,42,43)/b6-5+ | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells preincubated with enzyme followed... |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210254
(CHEMBL3980203)Show SMILES ONC(=O)CCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:29| Show InChI InChI=1S/C27H30N4O5/c32-26(31-33)8-1-2-15-36-25-10-9-23-17-22(25)19-35-14-4-3-13-34-18-20-6-5-7-21(16-20)24-11-12-28-27(29-23)30-24/h3-7,9-12,16-17,33H,1-2,8,13-15,18-19H2,(H,31,32)(H,28,29,30)/b4-3+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50210178
(CHEMBL3933593)Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1 |t:40| Show InChI InChI=1S/C37H42N6O6/c44-35(9-2-1-3-10-36(45)43-46)40-31-13-11-30(12-14-31)38-19-22-49-34-16-15-32-24-29(34)26-48-21-5-4-20-47-25-27-7-6-8-28(23-27)33-17-18-39-37(41-32)42-33/h4-8,11-18,23-24,38,46H,1-3,9-10,19-22,25-26H2,(H,40,44)(H,43,45)(H,39,41,42)/b5-4+ | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells preincubated with enzyme followed... |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50504581
(CHEMBL4554522)Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc3cc(OC)c(OC)cc23)cc1 Show InChI InChI=1S/C37H47N7O6/c1-48-29-16-10-25(11-17-29)24-44-20-18-28(19-21-44)39-36-30-22-32(49-2)33(50-3)23-31(30)41-37(42-36)40-27-14-12-26(13-15-27)38-34(45)8-6-4-5-7-9-35(46)43-47/h10-17,22-23,28,47H,4-9,18-21,24H2,1-3H3,(H,38,45)(H,43,46)(H2,39,40,41,42) | 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 | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111755 BindingDB Entry DOI: 10.7270/Q2ZS30T4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210258
(CHEMBL3920872)Show SMILES OC(=O)CCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:30| Show InChI InChI=1S/C29H33N3O5/c33-28(34)10-3-1-2-4-17-37-27-12-11-25-19-24(27)21-36-16-6-5-15-35-20-22-8-7-9-23(18-22)26-13-14-30-29(31-25)32-26/h5-9,11-14,18-19H,1-4,10,15-17,20-21H2,(H,33,34)(H,30,31,32)/b6-5+ | PDB
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 | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50250145
(CHEMBL4060602)Show InChI InChI=1S/C15H18N6O2/c22-13(20-23)4-2-1-3-7-21-9-11(8-19-21)14-12-5-6-16-15(12)18-10-17-14/h5-6,8-10,23H,1-4,7H2,(H,20,22)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in pres... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50462722
(CHEMBL4250122)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CC4CCCC4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C29H36N8O3/c38-25(9-3-1-2-4-10-26(39)36-40)32-22-11-13-23(14-12-22)33-29-34-27(24-15-16-30-28(24)35-29)21-17-31-37(19-21)18-20-7-5-6-8-20/h11-17,19-20,40H,1-10,18H2,(H,32,38)(H,36,39)(H2,30,33,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells preincubated with enzyme followed... |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in pres... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50250135
(CHEMBL4060201)Show InChI InChI=1S/C16H20N6O2/c23-14(21-24)5-3-1-2-4-8-22-10-12(9-20-22)15-13-6-7-17-16(13)19-11-18-15/h6-7,9-11,24H,1-5,8H2,(H,21,23)(H,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in Baculovirus infected insect ... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210262
(CHEMBL3951291)Show SMILES ONC(=O)CCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:30| Show InChI InChI=1S/C28H32N4O5/c33-27(32-34)9-2-1-3-16-37-26-11-10-24-18-23(26)20-36-15-5-4-14-35-19-21-7-6-8-22(17-21)25-12-13-29-28(30-24)31-25/h4-8,10-13,17-18,34H,1-3,9,14-16,19-20H2,(H,32,33)(H,29,30,31)/b5-4+ | PDB
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 | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210179
(CHEMBL3942555)Show SMILES ONC(=O)CCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:28| Show InChI InChI=1S/C26H28N4O5/c31-25(30-32)7-4-14-35-24-9-8-22-16-21(24)18-34-13-2-1-12-33-17-19-5-3-6-20(15-19)23-10-11-27-26(28-22)29-23/h1-3,5-6,8-11,15-16,32H,4,7,12-14,17-18H2,(H,30,31)(H,27,28,29)/b2-1+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210175
(CHEMBL3945293)Show SMILES ONC(=O)CCCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3 |t:32| Show InChI InChI=1S/C30H36N4O5/c35-29(34-36)11-4-2-1-3-5-18-39-28-13-12-26-20-25(28)22-38-17-7-6-16-37-21-23-9-8-10-24(19-23)27-14-15-31-30(32-26)33-27/h6-10,12-15,19-20,36H,1-5,11,16-18,21-22H2,(H,34,35)(H,31,32,33)/b7-6+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50462720
(CHEMBL4248054)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C34H40N8O4/c43-30(13-7-1-2-8-14-31(44)41-45)37-26-15-17-27(18-16-26)38-34-39-32(29-19-20-35-33(29)40-34)25-23-36-42(24-25)21-9-4-10-22-46-28-11-5-3-6-12-28/h3,5-6,11-12,15-20,23-24,45H,1-2,4,7-10,13-14,21-22H2,(H,37,43)(H,41,44)(H2,35,38,39,40) | 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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate |
Bioorg Med Chem Lett 28: 2636-2640 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50250135
(CHEMBL4060201)Show InChI InChI=1S/C16H20N6O2/c23-14(21-24)5-3-1-2-4-8-22-10-12(9-20-22)15-13-6-7-17-16(13)19-11-18-15/h6-7,9-11,24H,1-5,8H2,(H,21,23)(H,17,18,19) | 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 | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of C-terminal GST tagged human recombinant HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells in presence of ATP |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50504582
(CHEMBL4438378)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(NC3CCN(Cc4ccccc4)CC3)c3sccc3n2)cc1 Show InChI InChI=1S/C32H39N7O3S/c40-28(10-6-1-2-7-11-29(41)38-42)33-24-12-14-25(15-13-24)35-32-36-27-18-21-43-30(27)31(37-32)34-26-16-19-39(20-17-26)22-23-8-4-3-5-9-23/h3-5,8-9,12-15,18,21,26,42H,1-2,6-7,10-11,16-17,19-20,22H2,(H,33,40)(H,38,41)(H2,34,35,36,37) | 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 | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111755 BindingDB Entry DOI: 10.7270/Q2ZS30T4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50250136
(CHEMBL4095596)Show InChI InChI=1S/C17H22N6O2/c1-12(5-3-2-4-6-15(24)22-25)23-10-13(9-21-23)16-14-7-8-18-17(14)20-11-19-16/h7-12,25H,2-6H2,1H3,(H,22,24)(H,18,19,20) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of C-terminal FLAG His tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus infected sf21 cells using R... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50250158
(CHEMBL4088824)Show InChI InChI=1S/C14H16N6O2/c21-12(19-22)3-1-2-6-20-8-10(7-18-20)13-11-4-5-15-14(11)17-9-16-13/h4-5,7-9,22H,1-3,6H2,(H,19,21)(H,15,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in pres... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111755 BindingDB Entry DOI: 10.7270/Q2ZS30T4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50210178
(CHEMBL3933593)Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1 |t:40| Show InChI InChI=1S/C37H42N6O6/c44-35(9-2-1-3-10-36(45)43-46)40-31-13-11-30(12-14-31)38-19-22-49-34-16-15-32-24-29(34)26-48-21-5-4-20-47-25-27-7-6-8-28(23-27)33-17-18-39-37(41-32)42-33/h4-8,11-18,23-24,38,46H,1-3,9-10,19-22,25-26H2,(H,40,44)(H,43,45)(H,39,41,42)/b5-4+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay |
J Med Chem 59: 8233-62 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00157 BindingDB Entry DOI: 10.7270/Q2W95C5G |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50250135
(CHEMBL4060201)Show InChI InChI=1S/C16H20N6O2/c23-14(21-24)5-3-1-2-4-8-22-10-12(9-20-22)15-13-6-7-17-16(13)19-11-18-15/h6-7,9-11,24H,1-5,8H2,(H,21,23)(H,17,18,19) | 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 | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of C-terminal FLAG His tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus infected sf21 cells using R... |
J Med Chem 60: 8336-8357 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6 |
More data for this Ligand-Target Pair | |