Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'gebru' and Initial = 't'   

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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50369342 (CHEMBL4162282) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467538 (CHEMBL4280840) Show SMILES ONC(=O)c1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C27H29N3O4/c31-25(28-22-9-2-1-3-10-22)18-30(17-19-13-15-21(16-14-19)26(32)29-34)27(33)24-12-6-8-20-7-4-5-11-23(20)24/h4-8,11-16,22,34H,1-3,9-10,17-18H2,(H,28,31)(H,29,32)	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467535 (CHEMBL4283545) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H31N3O4/c1-17-8-11-21(14-18(17)2)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-9-12-20(13-10-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467536 (CHEMBL4278449) Show SMILES CCCCNC(=O)CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C23H30N4O4/c1-4-5-14-24-21(28)16-27(15-17-6-8-18(9-7-17)22(29)25-31)23(30)19-10-12-20(13-11-19)26(2)3/h6-13,31H,4-5,14-16H2,1-3H3,(H,24,28)(H,25,29)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467536 (CHEMBL4278449) Show SMILES CCCCNC(=O)CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C23H30N4O4/c1-4-5-14-24-21(28)16-27(15-17-6-8-18(9-7-17)22(29)25-31)23(30)19-10-12-20(13-11-19)26(2)3/h6-13,31H,4-5,14-16H2,1-3H3,(H,24,28)(H,25,29)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467539 (CHEMBL4289151) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H29N3O4/c1-15-6-9-19(12-16(15)2)22(29)26(14-20(27)24-23(3,4)5)13-17-7-10-18(11-8-17)21(28)25-30/h6-12,30H,13-14H2,1-5H3,(H,24,27)(H,25,28)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467537 (CHEMBL4292530) Show SMILES CC(C)c1ccc(cc1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)	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	64	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50369342 (CHEMBL4162282) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467537 (CHEMBL4292530) Show SMILES CC(C)c1ccc(cc1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)	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	86	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467535 (CHEMBL4283545) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H31N3O4/c1-17-8-11-21(14-18(17)2)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-9-12-20(13-10-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)	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	304	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467539 (CHEMBL4289151) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H29N3O4/c1-15-6-9-19(12-16(15)2)22(29)26(14-20(27)24-23(3,4)5)13-17-7-10-18(11-8-17)21(28)25-30/h6-12,30H,13-14H2,1-5H3,(H,24,27)(H,25,28)	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	428	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467538 (CHEMBL4280840) Show SMILES ONC(=O)c1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C27H29N3O4/c31-25(28-22-9-2-1-3-10-22)18-30(17-19-13-15-21(16-14-19)26(32)29-34)27(33)24-12-6-8-20-7-4-5-11-23(20)24/h4-8,11-16,22,34H,1-3,9-10,17-18H2,(H,28,31)(H,29,32)	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	552	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair