BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'chng' and Initial = 'wj'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1/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-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PubMed
n/an/a 0.0560n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50250140
PNG
(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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.140n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50250142
PNG
(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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.900n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210257
PNG
(CHEMBL3961053)
Show SMILES ONC(=O)C1CCN(CCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)CC1
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
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.970n/an/an/an/an/an/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
PNG
(ONX-0803 | PACRITINIB | Pacritinib | SB-1518 | SB1...)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/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 1/6


(Homo sapiens (Human))
BDBM50250136
PNG
(CHEMBL4095596)
Show SMILES CC(CCCCCC(=O)NO)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1/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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210176
PNG
(CHEMBL3924682)
Show SMILES ONC(=O)c1ccc(OCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/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))
BDBM50210167
PNG
(CHEMBL3917405)
Show SMILES ONC(=O)CCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/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 1/6


(Homo sapiens (Human))
BDBM50250135
PNG
(CHEMBL4060201)
Show SMILES ONC(=O)CCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1.40n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210174
PNG
(CHEMBL3915689)
Show SMILES ONC(=O)c1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/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 1/6


(Homo sapiens (Human))
BDBM50250144
PNG
(CHEMBL4069283)
Show SMILES ONC(=O)CCCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50210167
PNG
(CHEMBL3917405)
Show SMILES ONC(=O)CCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/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))
BDBM50210190
PNG
(CHEMBL3964125)
Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/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
PNG
(CHEMBL3972157)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/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
PNG
(CHEMBL3980203)
Show SMILES ONC(=O)CCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/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
PNG
(CHEMBL3933593)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/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))
BDBM50210258
PNG
(CHEMBL3920872)
Show SMILES OC(=O)CCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/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 1/6


(Homo sapiens (Human))
BDBM50250145
PNG
(CHEMBL4060602)
Show SMILES ONC(=O)CCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.90n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/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 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50250135
PNG
(CHEMBL4060201)
Show SMILES ONC(=O)CCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 3.90n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210262
PNG
(CHEMBL3951291)
Show SMILES ONC(=O)CCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/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
PNG
(CHEMBL3942555)
Show SMILES ONC(=O)CCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/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
PNG
(CHEMBL3945293)
Show SMILES ONC(=O)CCCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50250135
PNG
(CHEMBL4060201)
Show SMILES ONC(=O)CCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 5.80n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50250136
PNG
(CHEMBL4095596)
Show SMILES CC(CCCCCC(=O)NO)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1/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
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 6n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50250158
PNG
(CHEMBL4088824)
Show SMILES ONC(=O)CCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50250135
PNG
(CHEMBL4060201)
Show SMILES ONC(=O)CCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 6.90n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210178
PNG
(CHEMBL3933593)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.90n/an/an/an/an/an/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))
BDBM50210261
PNG
(CHEMBL3952364)
Show SMILES ONC(=O)c1cccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)c1
Show InChI InChI=1S/C31H31N5O5/c37-30(36-38)24-7-4-8-26(18-24)32-13-16-41-29-10-9-27-19-25(29)21-40-15-2-1-14-39-20-22-5-3-6-23(17-22)28-11-12-33-31(34-27)35-28/h1-12,17-19,32,38H,13-16,20-21H2,(H,36,37)(H,33,34,35)/b2-1+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9n/an/an/an/an/an/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50210167
PNG
(CHEMBL3917405)
Show SMILES ONC(=O)CCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system by KINOMEScan 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 JAK3


(Homo sapiens (Human))
BDBM50210167
PNG
(CHEMBL3917405)
Show SMILES ONC(=O)CCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 JH1 catalytic domain (I781 to S1124 residues) expressed in mammalian expression system by KINOMEScan 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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50210167
PNG
(CHEMBL3917405)
Show SMILES ONC(=O)CCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human TYK2 (V877 to C1187 residues) expressed in mammalian expression system by KINOMEScan 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 JAK1


(Homo sapiens (Human))
BDBM50250136
PNG
(CHEMBL4095596)
Show SMILES CC(CCCCCC(=O)NO)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1/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
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 11n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/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 using RHK-K(Ac)-AMC as substrate ...


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))
BDBM50210175
PNG
(CHEMBL3945293)
Show SMILES ONC(=O)CCCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/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 JAK1


(Homo sapiens (Human))
BDBM50250135
PNG
(CHEMBL4060201)
Show SMILES ONC(=O)CCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 17n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50250135
PNG
(CHEMBL4060201)
Show SMILES ONC(=O)CCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 20n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/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 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50250136
PNG
(CHEMBL4095596)
Show SMILES CC(CCCCCC(=O)NO)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1/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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 24n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50210262
PNG
(CHEMBL3951291)
Show SMILES ONC(=O)CCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/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))
BDBM50210173
PNG
(CHEMBL3972157)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/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


(Homo sapiens (Human))
BDBM50250136
PNG
(CHEMBL4095596)
Show SMILES CC(CCCCCC(=O)NO)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1/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
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 31n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50250135
PNG
(CHEMBL4060201)
Show SMILES ONC(=O)CCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 31n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50250144
PNG
(CHEMBL4069283)
Show SMILES ONC(=O)CCCCCCCn1cc(cn1)-c1ncnc2[nH]ccc12
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
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 36n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210255
PNG
(CHEMBL3962918)
Show SMILES OC(=O)c1ccc(OCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
Show InChI InChI=1S/C31H29N3O6/c35-30(36)23-6-9-27(10-7-23)39-16-17-40-29-11-8-26-19-25(29)21-38-15-2-1-14-37-20-22-4-3-5-24(18-22)28-12-13-32-31(33-26)34-28/h1-13,18-19H,14-17,20-21H2,(H,35,36)(H,32,33,34)/b2-1+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<39n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


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))
BDBM50210263
PNG
(CHEMBL3954183)
Show SMILES OC(=O)c1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
Show InChI InChI=1S/C31H30N4O5/c36-30(37)23-6-8-26(9-7-23)32-14-17-40-29-11-10-27-19-25(29)21-39-16-2-1-15-38-20-22-4-3-5-24(18-22)28-12-13-33-31(34-27)35-28/h1-13,18-19,32H,14-17,20-21H2,(H,36,37)(H,33,34,35)/b2-1+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<39n/an/an/an/an/an/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))
BDBM50210265
PNG
(CHEMBL3892860)
Show SMILES OC(=O)CCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C28H31N3O5/c32-27(33)9-2-1-3-16-36-26-11-10-24-18-23(26)20-35-15-5-4-14-34-19-21-7-6-8-22(17-21)25-12-13-29-28(30-24)31-25/h4-8,10-13,17-18H,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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<39n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


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))
BDBM50210253
PNG
(CHEMBL3943650)
Show SMILES OC(=O)CCCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C30H35N3O5/c34-29(35)11-4-2-1-3-5-18-38-28-13-12-26-20-25(28)22-37-17-7-6-16-36-21-23-9-8-10-24(19-23)27-14-15-31-30(32-26)33-27/h6-10,12-15,19-20H,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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<39n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


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
Displayed 1 to 50 (of 124 total )  |  Next  |  Last  >>
Jump to: