Found 125 hits with Last Name = 'ohlson' and Initial = 's' 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)) | 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)) | 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 | <1 | 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 [gamma33P]-ATP |
Bioorg Med Chem Lett 28: 1357-1362 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.009 BindingDB Entry DOI: 10.7270/Q2FB55KP |
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 | |
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 | |
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 | |
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 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)) | 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 | |
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 | |
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 | |
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 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)) | 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 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 | |
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)) | 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)) | 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 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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50462725
(CHEMBL4240012)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C33H38N8O4/c42-29(12-6-1-2-7-13-30(43)40-44)36-25-14-16-26(17-15-25)37-33-38-31(28-18-19-34-32(28)39-33)24-22-35-41(23-24)20-8-9-21-45-27-10-4-3-5-11-27/h3-5,10-11,14-19,22-23,44H,1-2,6-9,12-13,20-21H2,(H,36,42)(H,40,43)(H2,34,37,38,39) | 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 | 7 | 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)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.70 | 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)) | BDBM50460794
(CHEMBL4228653)Show SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cccc(OCCCCCCOc2ccc(Nc3nc(-c4cnn(CCCCCCC(=O)NO)c4)c4cc[nH]c4n3)cc2)c1 Show InChI InChI=1S/C43H49N11O5S/c1-2-45-40(56)35-25-34-37(49-42(44)52-41(34)60-35)28-12-11-13-32(24-28)59-23-10-6-5-9-22-58-31-17-15-30(16-18-31)48-43-50-38(33-19-20-46-39(33)51-43)29-26-47-54(27-29)21-8-4-3-7-14-36(55)53-57/h11-13,15-20,24-27,57H,2-10,14,21-23H2,1H3,(H,45,56)(H,53,55)(H2,44,49,52)(H2,46,48,50,51) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate after 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 28: 1357-1362 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.009 BindingDB Entry DOI: 10.7270/Q2FB55KP |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(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 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 | 9.60 | 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 JAK1
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human JAK1 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 | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50008059
(CHEBI:5292 | GELDANAMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,21,t:13,19,32| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of geldanamycin-based probe binding to HSP90 (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1357-1362 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.009 BindingDB Entry DOI: 10.7270/Q2FB55KP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50462721
(CHEMBL4243822)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C35H42N8O4/c44-31(14-8-1-2-9-15-32(45)42-46)38-27-16-18-28(19-17-27)39-35-40-33(30-20-21-36-34(30)41-35)26-24-37-43(25-26)22-10-3-4-11-23-47-29-12-6-5-7-13-29/h5-7,12-13,16-21,24-25,46H,1-4,8-11,14-15,22-23H2,(H,38,44)(H,42,45)(H2,36,39,40,41) | 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 | 16 | 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 JAK1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human JAK1 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 | |
Polyamine deacetylase HDAC10
(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) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC10 using fluorogenic peptide from p53 residues 379 to 382 as substrate 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50462721
(CHEMBL4243822)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C35H42N8O4/c44-31(14-8-1-2-9-15-32(45)42-46)38-27-16-18-28(19-17-27)39-35-40-33(30-20-21-36-34(30)41-35)26-24-37-43(25-26)22-10-3-4-11-23-47-29-12-6-5-7-13-29/h5-7,12-13,16-21,24-25,46H,1-4,8-11,14-15,22-23H2,(H,38,44)(H,42,45)(H2,36,39,40,41) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | 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)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate after 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 28: 1357-1362 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.009 BindingDB Entry DOI: 10.7270/Q2FB55KP |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 20 | 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)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | 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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 24 | 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 | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008059
(CHEBI:5292 | GELDANAMYCIN)Show SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,21,t:13,19,32| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of HSP90alpha (unknown origin) |
Bioorg Med Chem Lett 28: 1357-1362 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.009 BindingDB Entry DOI: 10.7270/Q2FB55KP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Polyamine deacetylase HDAC10
(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) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description Inhibition of human HDAC10 using fluorogenic peptide from p53 residues 379 to 382 as substrate 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 11
(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) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | 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 His tagged human recombinant HDAC11 (1 to 347 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 1
(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 | 36 | 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 | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50462725
(CHEMBL4240012)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C33H38N8O4/c42-29(12-6-1-2-7-13-30(43)40-44)36-25-14-16-26(17-15-25)37-33-38-31(28-18-19-34-32(28)39-33)24-22-35-41(23-24)20-8-9-21-45-27-10-4-3-5-11-27/h3-5,10-11,14-19,22-23,44H,1-2,6-9,12-13,20-21H2,(H,36,42)(H,40,43)(H2,34,37,38,39) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 40 | 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)) | BDBM50250143
(CHEMBL4070306)Show SMILES ONC(=O)CCCCCCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C20H28N6O2/c27-18(25-28)9-7-5-3-1-2-4-6-8-12-26-14-16(13-24-26)19-17-10-11-21-20(17)23-15-22-19/h10-11,13-15,28H,1-9,12H2,(H,25,27)(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 43 | 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 | |