Compile Data Set for Download or QSAR

Found 233 hits with Last Name = 'chng' and Initial = 'wj'   

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))	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)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467405 (CHEMBL4290831) Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)n1 Show InChI InChI=1S/C26H30N6O4/c1-18(33)28-20-10-8-19(9-11-20)23-16-17-27-26(31-23)30-22-14-12-21(13-15-22)29-24(34)6-4-2-3-5-7-25(35)32-36/h8-17,36H,2-7H2,1H3,(H,28,33)(H,29,34)(H,32,35)(H,27,30,31)	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	0.100	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 preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
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
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))	BDBM50467416 (CHEMBL4282456) Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(NC(=O)CCCCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C26H30N6O4/c1-18(33)28-20-13-11-19(12-14-20)23-15-16-27-26(31-23)30-22-8-6-7-21(17-22)29-24(34)9-4-2-3-5-10-25(35)32-36/h6-8,11-17,36H,2-5,9-10H2,1H3,(H,28,33)(H,29,34)(H,32,35)(H,27,30,31)	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	0.810	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 preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					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))	BDBM50467405 (CHEMBL4290831) Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)n1 Show InChI InChI=1S/C26H30N6O4/c1-18(33)28-20-10-8-19(9-11-20)23-16-17-27-26(31-23)30-22-14-12-21(13-15-22)29-24(34)6-4-2-3-5-7-25(35)32-36/h8-17,36H,2-7H2,1H3,(H,28,33)(H,29,34)(H,32,35)(H,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50250136 (CHEMBL4095596) Show SMILES CC(CCCCCC(=O)NO)n1cc(cn1)-c1ncnc2[nH]ccc12 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))	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))	BDBM50467407 (CHEMBL4286867) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C28H34N6O4/c35-26(5-3-1-2-4-6-27(36)33-37)30-22-9-7-21(8-10-22)25-15-16-29-28(32-25)31-23-11-13-24(14-12-23)34-17-19-38-20-18-34/h7-16,37H,1-6,17-20H2,(H,30,35)(H,33,36)(H,29,31,32)	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	1.20	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 preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467413 (CHEMBL4290748) Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(OCCCCCC(=O)NO)cc2)n1 Show InChI InChI=1S/C24H27N5O4/c1-17(30)26-19-8-6-18(7-9-19)22-14-15-25-24(28-22)27-20-10-12-21(13-11-20)33-16-4-2-3-5-23(31)29-32/h6-15,32H,2-5,16H2,1H3,(H,26,30)(H,29,31)(H,25,27,28)	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	1.30	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 preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					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))	BDBM50467402 (CHEMBL4278951) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C24H27N5O3/c30-22(10-6-1-2-7-11-23(31)29-32)26-20-14-12-18(13-15-20)21-16-17-25-24(28-21)27-19-8-4-3-5-9-19/h3-5,8-9,12-17,32H,1-2,6-7,10-11H2,(H,26,30)(H,29,31)(H,25,27,28)	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 HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50250135 (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 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
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))	BDBM50467401 (CHEMBL4294153) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(OCCCCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C25H29N5O4/c1-18(31)27-20-12-10-19(11-13-20)23-14-15-26-25(29-23)28-21-7-6-8-22(17-21)34-16-5-3-2-4-9-24(32)30-33/h6-8,10-15,17,33H,2-5,9,16H2,1H3,(H,27,31)(H,30,32)(H,26,28,29)	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	1.80	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 preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50250144 (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 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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50467400 (CHEMBL4281785) Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 Show InChI InChI=1S/C29H36N6O4/c1-21-20-30-29(32-24-12-14-25(15-13-24)35-16-18-39-19-17-35)33-28(21)22-8-10-23(11-9-22)31-26(36)6-4-2-3-5-7-27(37)34-38/h8-15,20,38H,2-7,16-19H2,1H3,(H,31,36)(H,34,37)(H,30,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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 human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					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 6 (Homo sapiens (Human))	BDBM50467419 (CHEMBL4289006) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 Show InChI InChI=1S/C30H39N7O3/c1-22-21-31-30(33-25-13-15-26(16-14-25)37-19-17-36(2)18-20-37)34-29(22)23-9-11-24(12-10-23)32-27(38)7-5-3-4-6-8-28(39)35-40/h9-16,21,40H,3-8,17-20H2,1-2H3,(H,32,38)(H,35,39)(H,31,33,34)	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 HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					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))	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))	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))	BDBM50467398 (CHEMBL4280540) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(OCCCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C24H27N5O4/c1-17(30)26-19-11-9-18(10-12-19)22-13-14-25-24(28-22)27-20-6-5-7-21(16-20)33-15-4-2-3-8-23(31)29-32/h5-7,9-14,16,32H,2-4,8,15H2,1H3,(H,26,30)(H,29,31)(H,25,27,28)	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	2.40	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 preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					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))	BDBM50467410 (CHEMBL4284388) Show SMILES OC(=O)C(F)(F)F.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(NC(=O)CCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C24H26N6O4/c1-16(31)26-18-11-9-17(10-12-18)21-13-14-25-24(29-21)28-20-6-4-5-19(15-20)27-22(32)7-2-3-8-23(33)30-34/h4-6,9-15,34H,2-3,7-8H2,1H3,(H,26,31)(H,27,32)(H,30,33)(H,25,28,29)	PDB 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 JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					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 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 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))	BDBM50467414 (CHEMBL4290689) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(Nc2cccc(OCCCCCCCC(=O)NO)c2)ncc1C Show InChI InChI=1S/C27H33N5O4/c1-19-18-28-27(31-26(19)21-12-14-22(15-13-21)29-20(2)33)30-23-9-8-10-24(17-23)36-16-7-5-3-4-6-11-25(34)32-35/h8-10,12-15,17-18,35H,3-7,11,16H2,1-2H3,(H,29,33)(H,32,34)(H,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50467399 (CHEMBL4279986) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCCCC2)n1 Show InChI InChI=1S/C23H25N5O/c1-17(29)25-19-7-5-18(6-8-19)22-13-14-24-23(27-22)26-20-9-11-21(12-10-20)28-15-3-2-4-16-28/h5-14H,2-4,15-16H2,1H3,(H,25,29)(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467411 (CHEMBL4283921) Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(OCCCCCCC(=O)NO)cc2)n1 Show InChI InChI=1S/C25H29N5O4/c1-18(31)27-20-9-7-19(8-10-20)23-15-16-26-25(29-23)28-21-11-13-22(14-12-21)34-17-5-3-2-4-6-24(32)30-33/h7-16,33H,2-6,17H2,1H3,(H,27,31)(H,30,32)(H,26,28,29)	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	3	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 preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467409 (CHEMBL4292408) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 Show InChI InChI=1S/C29H37N7O3/c1-35-18-20-36(21-19-35)25-14-12-24(13-15-25)32-29-30-17-16-26(33-29)22-8-10-23(11-9-22)31-27(37)6-4-2-3-5-7-28(38)34-39/h8-17,39H,2-7,18-21H2,1H3,(H,31,37)(H,34,38)(H,30,32,33)	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	3.10	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 preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50467407 (CHEMBL4286867) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C28H34N6O4/c35-26(5-3-1-2-4-6-27(36)33-37)30-22-9-7-21(8-10-22)25-15-16-29-28(32-25)31-23-11-13-24(14-12-23)34-17-19-38-20-18-34/h7-16,37H,1-6,17-20H2,(H,30,35)(H,33,36)(H,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50467398 (CHEMBL4280540) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(OCCCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C24H27N5O4/c1-17(30)26-19-11-9-18(10-12-19)22-13-14-25-24(28-22)27-20-6-5-7-21(16-20)33-15-4-2-3-8-23(31)29-32/h5-7,9-14,16,32H,2-4,8,15H2,1H3,(H,26,30)(H,29,31)(H,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	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 preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (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 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))	BDBM50467396 (CHEMBL4280050) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(Nc2ccc(OCCCCCC(=O)NO)cc2)ncc1C Show InChI InChI=1S/C25H29N5O4/c1-17-16-26-25(29-24(17)19-7-9-20(10-8-19)27-18(2)31)28-21-11-13-22(14-12-21)34-15-5-3-4-6-23(32)30-33/h7-14,16,33H,3-6,15H2,1-2H3,(H,27,31)(H,30,32)(H,26,28,29)	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	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 HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (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 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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50467401 (CHEMBL4294153) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(OCCCCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C25H29N5O4/c1-18(31)27-20-12-10-19(11-13-20)23-14-15-26-25(29-23)28-21-7-6-8-22(17-21)34-16-5-3-2-4-9-24(32)30-33/h6-8,10-15,17,33H,2-5,9,16H2,1H3,(H,27,31)(H,30,32)(H,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467400 (CHEMBL4281785) Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 Show InChI InChI=1S/C29H36N6O4/c1-21-20-30-29(32-24-12-14-25(15-13-24)35-16-18-39-19-17-35)33-28(21)22-8-10-23(11-9-22)31-26(36)6-4-2-3-5-7-27(37)34-38/h8-15,20,38H,2-7,16-19H2,1H3,(H,31,36)(H,34,37)(H,30,32,33)	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	3.70	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 preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467402 (CHEMBL4278951) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C24H27N5O3/c30-22(10-6-1-2-7-11-23(31)29-32)26-20-14-12-18(13-15-20)21-16-17-25-24(28-21)27-19-8-4-3-5-9-19/h3-5,8-9,12-17,32H,1-2,6-7,10-11H2,(H,26,30)(H,29,31)(H,25,27,28)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50467408 (CHEMBL4295224) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(Nc2cccc(OCCCCCCC(=O)NO)c2)ncc1C Show InChI InChI=1S/C26H31N5O4/c1-18-17-27-26(30-25(18)20-11-13-21(14-12-20)28-19(2)32)29-22-8-7-9-23(16-22)35-15-6-4-3-5-10-24(33)31-34/h7-9,11-14,16-17,34H,3-6,10,15H2,1-2H3,(H,28,32)(H,31,33)(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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 JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50250135 (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 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))	BDBM50467419 (CHEMBL4289006) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 Show InChI InChI=1S/C30H39N7O3/c1-22-21-31-30(33-25-13-15-26(16-14-25)37-19-17-36(2)18-20-37)34-29(22)23-9-11-24(12-10-23)32-27(38)7-5-3-4-6-8-28(39)35-40/h9-16,21,40H,3-8,17-20H2,1-2H3,(H,32,38)(H,35,39)(H,31,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467410 (CHEMBL4284388) Show SMILES OC(=O)C(F)(F)F.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(NC(=O)CCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C24H26N6O4/c1-16(31)26-18-11-9-17(10-12-18)21-13-14-25-24(29-21)28-20-6-4-5-19(15-20)27-22(32)7-2-3-8-23(33)30-34/h4-6,9-15,34H,2-3,7-8H2,1H3,(H,26,31)(H,27,32)(H,30,33)(H,25,28,29)	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	4.60	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 preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50467409 (CHEMBL4292408) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 Show InChI InChI=1S/C29H37N7O3/c1-35-18-20-36(21-19-35)25-14-12-24(13-15-25)32-29-30-17-16-26(33-29)22-8-10-23(11-9-22)31-27(37)6-4-2-3-5-7-28(38)34-39/h8-17,39H,2-7,18-21H2,1H3,(H,31,37)(H,34,38)(H,30,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
					More data for this Ligand-Target Pair

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