Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50002769   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462728 (CHEMBL4242626) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCC#N)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C26H29N9O3/c27-13-5-15-35-17-18(16-29-35)24-21-12-14-28-25(21)33-26(32-24)31-20-10-8-19(9-11-20)30-22(36)6-3-1-2-4-7-23(37)34-38/h8-12,14,16-17,38H,1-7,15H2,(H,30,36)(H,34,37)(H2,28,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462726 (CHEMBL4247128) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCC=C)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C27H32N8O3/c1-2-3-16-35-18-19(17-29-35)25-22-14-15-28-26(22)33-27(32-25)31-21-12-10-20(11-13-21)30-23(36)8-6-4-5-7-9-24(37)34-38/h2,10-15,17-18,38H,1,3-9,16H2,(H,30,36)(H,34,37)(H2,28,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0410	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462723 (CHEMBL4243458) Show SMILES CCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O3/c1-2-15-34-17-18(16-28-34)24-21-13-14-27-25(21)32-26(31-24)30-20-11-9-19(10-12-20)29-22(35)7-5-3-4-6-8-23(36)33-37/h9-14,16-17,37H,2-8,15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462724 (CHEMBL4243347) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cn[nH]c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C23H26N8O3/c32-19(5-3-1-2-4-6-20(33)31-34)27-16-7-9-17(10-8-16)28-23-29-21(15-13-25-26-14-15)18-11-12-24-22(18)30-23/h7-14,34H,1-6H2,(H,25,26)(H,27,32)(H,31,33)(H2,24,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462726 (CHEMBL4247128) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCC=C)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C27H32N8O3/c1-2-3-16-35-18-19(17-29-35)25-22-14-15-28-26(22)33-27(32-25)31-21-12-10-20(11-13-21)30-23(36)8-6-4-5-7-9-24(37)34-38/h2,10-15,17-18,38H,1,3-9,16H2,(H,30,36)(H,34,37)(H2,28,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462728 (CHEMBL4242626) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCC#N)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C26H29N9O3/c27-13-5-15-35-17-18(16-29-35)24-21-12-14-28-25(21)33-26(32-24)31-20-10-8-19(9-11-20)30-22(36)6-3-1-2-4-7-23(37)34-38/h8-12,14,16-17,38H,1-7,15H2,(H,30,36)(H,34,37)(H2,28,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462724 (CHEMBL4243347) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cn[nH]c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C23H26N8O3/c32-19(5-3-1-2-4-6-20(33)31-34)27-16-7-9-17(10-8-16)28-23-29-21(15-13-25-26-14-15)18-11-12-24-22(18)30-23/h7-14,34H,1-6H2,(H,25,26)(H,27,32)(H,31,33)(H2,24,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462723 (CHEMBL4243458) Show SMILES CCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O3/c1-2-15-34-17-18(16-28-34)24-21-13-14-27-25(21)32-26(31-24)30-20-11-9-19(10-12-20)29-22(35)7-5-3-4-6-8-23(36)33-37/h9-14,16-17,37H,2-8,15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462724 (CHEMBL4243347) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cn[nH]c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C23H26N8O3/c32-19(5-3-1-2-4-6-20(33)31-34)27-16-7-9-17(10-8-16)28-23-29-21(15-13-25-26-14-15)18-11-12-24-22(18)30-23/h7-14,34H,1-6H2,(H,25,26)(H,27,32)(H,31,33)(H2,24,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462719 (CHEMBL4250891) Show SMILES COCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O4/c1-38-15-14-34-17-18(16-28-34)24-21-12-13-27-25(21)32-26(31-24)30-20-10-8-19(9-11-20)29-22(35)6-4-2-3-5-7-23(36)33-37/h8-13,16-17,37H,2-7,14-15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462727 (CHEMBL4237600) Show SMILES CS(=O)(=O)CCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O5S/c1-40(38,39)15-14-34-17-18(16-28-34)24-21-12-13-27-25(21)32-26(31-24)30-20-10-8-19(9-11-20)29-22(35)6-4-2-3-5-7-23(36)33-37/h8-13,16-17,37H,2-7,14-15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462719 (CHEMBL4250891) Show SMILES COCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O4/c1-38-15-14-34-17-18(16-28-34)24-21-12-13-27-25(21)32-26(31-24)30-20-10-8-19(9-11-20)29-22(35)6-4-2-3-5-7-23(36)33-37/h8-13,16-17,37H,2-7,14-15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462722 (CHEMBL4250122) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CC4CCCC4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C29H36N8O3/c38-25(9-3-1-2-4-10-26(39)36-40)32-22-11-13-23(14-12-22)33-29-34-27(24-15-16-30-28(24)35-29)21-17-31-37(19-21)18-20-7-5-6-8-20/h11-17,19-20,40H,1-10,18H2,(H,32,38)(H,36,39)(H2,30,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show 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 human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462720 (CHEMBL4248054) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C34H40N8O4/c43-30(13-7-1-2-8-14-31(44)41-45)37-26-15-17-27(18-16-26)38-34-39-32(29-19-20-35-33(29)40-34)25-23-36-42(24-25)21-9-4-10-22-46-28-11-5-3-6-12-28/h3,5-6,11-12,15-20,23-24,45H,1-2,4,7-10,13-14,21-22H2,(H,37,43)(H,41,44)(H2,35,38,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462725 (CHEMBL4240012) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C33H38N8O4/c42-29(12-6-1-2-7-13-30(43)40-44)36-25-14-16-26(17-15-25)37-33-38-31(28-18-19-34-32(28)39-33)24-22-35-41(23-24)20-8-9-21-45-27-10-4-3-5-11-27/h3-5,10-11,14-19,22-23,44H,1-2,6-9,12-13,20-21H2,(H,36,42)(H,40,43)(H2,34,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462727 (CHEMBL4237600) Show SMILES CS(=O)(=O)CCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O5S/c1-40(38,39)15-14-34-17-18(16-28-34)24-21-12-13-27-25(21)32-26(31-24)30-20-10-8-19(9-11-20)29-22(35)6-4-2-3-5-7-23(36)33-37/h8-13,16-17,37H,2-7,14-15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462722 (CHEMBL4250122) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CC4CCCC4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C29H36N8O3/c38-25(9-3-1-2-4-10-26(39)36-40)32-22-11-13-23(14-12-22)33-29-34-27(24-15-16-30-28(24)35-29)21-17-31-37(19-21)18-20-7-5-6-8-20/h11-17,19-20,40H,1-10,18H2,(H,32,38)(H,36,39)(H2,30,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462721 (CHEMBL4243822) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C35H42N8O4/c44-31(14-8-1-2-9-15-32(45)42-46)38-27-16-18-28(19-17-27)39-35-40-33(30-20-21-36-34(30)41-35)26-24-37-43(25-26)22-10-3-4-11-23-47-29-12-6-5-7-13-29/h5-7,12-13,16-21,24-25,46H,1-4,8-11,14-15,22-23H2,(H,38,44)(H,42,45)(H2,36,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462721 (CHEMBL4243822) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C35H42N8O4/c44-31(14-8-1-2-9-15-32(45)42-46)38-27-16-18-28(19-17-27)39-35-40-33(30-20-21-36-34(30)41-35)26-24-37-43(25-26)22-10-3-4-11-23-47-29-12-6-5-7-13-29/h5-7,12-13,16-21,24-25,46H,1-4,8-11,14-15,22-23H2,(H,38,44)(H,42,45)(H2,36,39,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462720 (CHEMBL4248054) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C34H40N8O4/c43-30(13-7-1-2-8-14-31(44)41-45)37-26-15-17-27(18-16-26)38-34-39-32(29-19-20-35-33(29)40-34)25-23-36-42(24-25)21-9-4-10-22-46-28-11-5-3-6-12-28/h3,5-6,11-12,15-20,23-24,45H,1-2,4,7-10,13-14,21-22H2,(H,37,43)(H,41,44)(H2,35,38,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462725 (CHEMBL4240012) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C33H38N8O4/c42-29(12-6-1-2-7-13-30(43)40-44)36-25-14-16-26(17-15-25)37-33-38-31(28-18-19-34-32(28)39-33)24-22-35-41(23-24)20-8-9-21-45-27-10-4-3-5-11-27/h3-5,10-11,14-19,22-23,44H,1-2,6-9,12-13,20-21H2,(H,36,42)(H,40,43)(H2,34,37,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462723 (CHEMBL4243458) Show SMILES CCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O3/c1-2-15-34-17-18(16-28-34)24-21-13-14-27-25(21)32-26(31-24)30-20-11-9-19(10-12-20)29-22(35)7-5-3-4-6-8-23(36)33-37/h9-14,16-17,37H,2-8,15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462728 (CHEMBL4242626) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCC#N)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C26H29N9O3/c27-13-5-15-35-17-18(16-29-35)24-21-12-14-28-25(21)33-26(32-24)31-20-10-8-19(9-11-20)30-22(36)6-3-1-2-4-7-23(37)34-38/h8-12,14,16-17,38H,1-7,15H2,(H,30,36)(H,34,37)(H2,28,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462719 (CHEMBL4250891) Show SMILES COCCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O4/c1-38-15-14-34-17-18(16-28-34)24-21-12-13-27-25(21)32-26(31-24)30-20-10-8-19(9-11-20)29-22(35)6-4-2-3-5-7-23(36)33-37/h8-13,16-17,37H,2-7,14-15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462726 (CHEMBL4247128) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCC=C)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C27H32N8O3/c1-2-3-16-35-18-19(17-29-35)25-22-14-15-28-26(22)33-27(32-25)31-21-12-10-20(11-13-21)30-23(36)8-6-4-5-7-9-24(37)34-38/h2,10-15,17-18,38H,1,3-9,16H2,(H,30,36)(H,34,37)(H2,28,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462727 (CHEMBL4237600) Show SMILES CS(=O)(=O)CCn1cc(cn1)-c1nc(Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)nc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O5S/c1-40(38,39)15-14-34-17-18(16-28-34)24-21-12-13-27-25(21)32-26(31-24)30-20-10-8-19(9-11-20)29-22(35)6-4-2-3-5-7-23(36)33-37/h8-13,16-17,37H,2-7,14-15H2,1H3,(H,29,35)(H,33,36)(H2,27,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462720 (CHEMBL4248054) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C34H40N8O4/c43-30(13-7-1-2-8-14-31(44)41-45)37-26-15-17-27(18-16-26)38-34-39-32(29-19-20-35-33(29)40-34)25-23-36-42(24-25)21-9-4-10-22-46-28-11-5-3-6-12-28/h3,5-6,11-12,15-20,23-24,45H,1-2,4,7-10,13-14,21-22H2,(H,37,43)(H,41,44)(H2,35,38,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462725 (CHEMBL4240012) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C33H38N8O4/c42-29(12-6-1-2-7-13-30(43)40-44)36-25-14-16-26(17-15-25)37-33-38-31(28-18-19-34-32(28)39-33)24-22-35-41(23-24)20-8-9-21-45-27-10-4-3-5-11-27/h3-5,10-11,14-19,22-23,44H,1-2,6-9,12-13,20-21H2,(H,36,42)(H,40,43)(H2,34,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462721 (CHEMBL4243822) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C35H42N8O4/c44-31(14-8-1-2-9-15-32(45)42-46)38-27-16-18-28(19-17-27)39-35-40-33(30-20-21-36-34(30)41-35)26-24-37-43(25-26)22-10-3-4-11-23-47-29-12-6-5-7-13-29/h5-7,12-13,16-21,24-25,46H,1-4,8-11,14-15,22-23H2,(H,38,44)(H,42,45)(H2,36,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462722 (CHEMBL4250122) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CC4CCCC4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C29H36N8O3/c38-25(9-3-1-2-4-10-26(39)36-40)32-22-11-13-23(14-12-22)33-29-34-27(24-15-16-30-28(24)35-29)21-17-31-37(19-21)18-20-7-5-6-8-20/h11-17,19-20,40H,1-10,18H2,(H,32,38)(H,36,39)(H2,30,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair