Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'yen' and Initial = 'jjy'   

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))	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
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
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
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
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))	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
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
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))	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))	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))	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))	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))	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
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))	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
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))	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
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))	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
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
Histone deacetylase 2 (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	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 1 (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	6	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG His tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus infected sf21 cells using R...				J Med Chem 60: 8336-8357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00678 BindingDB Entry DOI: 10.7270/Q2CN76B6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50250158 (CHEMBL4088824) Show 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 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 6 (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 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	6.10	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))	BDBM50467415 (CHEMBL4283513) Show SMILES CN1CCN(CC(=O)Nc2ccc(cc2)-c2ccnc(Nc3ccc(OCCCCCCC(=O)NO)cc3)n2)CC1 Show InChI InChI=1S/C30H39N7O4/c1-36-17-19-37(20-18-36)22-29(39)32-24-9-7-23(8-10-24)27-15-16-31-30(34-27)33-25-11-13-26(14-12-25)41-21-5-3-2-4-6-28(38)35-40/h7-16,40H,2-6,17-22H2,1H3,(H,32,39)(H,35,38)(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	6.10	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))	BDBM50467420 (CHEMBL4277267) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(c2)N2CCCCC2)n1 Show InChI InChI=1S/C29H36N6O3/c36-27(11-4-1-2-5-12-28(37)34-38)31-23-15-13-22(14-16-23)26-17-18-30-29(33-26)32-24-9-8-10-25(21-24)35-19-6-3-7-20-35/h8-10,13-18,21,38H,1-7,11-12,19-20H2,(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	6.60	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))	BDBM50467406 (CHEMBL4278591) Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(OCCCCCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C26H31N5O4/c1-19(32)28-21-13-11-20(12-14-21)24-15-16-27-26(30-24)29-22-8-7-9-23(18-22)35-17-6-4-2-3-5-10-25(33)31-34/h7-9,11-16,18,34H,2-6,10,17H2,1H3,(H,28,32)(H,31,33)(H,27,29,30)	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	6.70	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 6 (Homo sapiens (Human))	BDBM50467404 (CHEMBL4294092) Show SMILES CN1CCN(CC(=O)Nc2ccc(cc2)-c2ccnc(Nc3cccc(OCCCCCCC(=O)NO)c3)n2)CC1 Show InChI InChI=1S/C30H39N7O4/c1-36-16-18-37(19-17-36)22-29(39)32-24-12-10-23(11-13-24)27-14-15-31-30(34-27)33-25-7-6-8-26(21-25)41-20-5-3-2-4-9-28(38)35-40/h6-8,10-15,21,40H,2-5,9,16-20,22H2,1H3,(H,32,39)(H,35,38)(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	6.80	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 1 (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	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50467418 (CHEMBL4290297) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(NC(C)=O)cc2)cc1 Show InChI InChI=1S/C23H26N6O/c1-17(30)25-19-5-3-18(4-6-19)22-11-12-24-23(27-22)26-20-7-9-21(10-8-20)29-15-13-28(2)14-16-29/h3-12H,13-16H2,1-2H3,(H,25,30)(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	7.90	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))	BDBM50467420 (CHEMBL4277267) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(c2)N2CCCCC2)n1 Show InChI InChI=1S/C29H36N6O3/c36-27(11-4-1-2-5-12-28(37)34-38)31-23-15-13-22(14-16-23)26-17-18-30-29(33-26)32-24-9-8-10-25(21-24)35-19-6-3-7-20-35/h8-10,13-18,21,38H,1-7,11-12,19-20H2,(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	9	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human 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))	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 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	9.70	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
Tyrosine-protein kinase JAK1 (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 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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467412 (CHEMBL4291781) Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(OCCCCCCCC(=O)NO)cc2)n1 Show InChI InChI=1S/C26H31N5O4/c1-19(32)28-21-10-8-20(9-11-21)24-16-17-27-26(30-24)29-22-12-14-23(15-13-22)35-18-6-4-2-3-5-7-25(33)31-34/h8-17,34H,2-7,18H2,1H3,(H,28,32)(H,31,33)(H,27,29,30)	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	14	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))	BDBM50402417 (CHEMBL2208024) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(c2)N2CCCCC2)n1 Show InChI InChI=1S/C23H25N5O/c1-17(29)25-19-10-8-18(9-11-19)22-12-13-24-23(27-22)26-20-6-5-7-21(16-20)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15H2,1H3,(H,25,29)(H,24,26,27)	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	14	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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