Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'leisten' and Initial = 'ed'   

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))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal tagged human HDAC6 expressed in HEK293T/17 using Ac-Gly-Ala-[Ac-Lys]-AMC as substrate preincubated for 10 mins followe...				J Med Chem 62: 7042-7057 (2019) Article DOI: 10.1021/acs.jmedchem.9b00516 BindingDB Entry DOI: 10.7270/Q2MP56H6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50503977 (CHEMBL4465902) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)cc1 Show InChI InChI=1S/C40H45N9O8/c1-2-3-20-47(24-26-10-12-27(13-11-26)36(51)45-56)40(55)42-28-14-16-30(17-15-28)57-22-6-4-5-21-48-25-29(44-46-48)23-41-32-9-7-8-31-35(32)39(54)49(38(31)53)33-18-19-34(50)43-37(33)52/h7-17,25,33,41,56H,2-6,18-24H2,1H3,(H,42,55)(H,45,51)(H,43,50,52)	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	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal tagged human HDAC6 expressed in HEK293T/17 using Ac-Gly-Ala-[Ac-Lys]-AMC as substrate preincubated for 10 mins followe...				J Med Chem 62: 7042-7057 (2019) Article DOI: 10.1021/acs.jmedchem.9b00516 BindingDB Entry DOI: 10.7270/Q2MP56H6
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50503977 (CHEMBL4465902) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)cc1 Show InChI InChI=1S/C40H45N9O8/c1-2-3-20-47(24-26-10-12-27(13-11-26)36(51)45-56)40(55)42-28-14-16-30(17-15-28)57-22-6-4-5-21-48-25-29(44-46-48)23-41-32-9-7-8-31-35(32)39(54)49(38(31)53)33-18-19-34(50)43-37(33)52/h7-17,25,33,41,56H,2-6,18-24H2,1H3,(H,42,55)(H,45,51)(H,43,50,52)	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	>300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal tagged human HDAC7 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by s...				J Med Chem 62: 7042-7057 (2019) Article DOI: 10.1021/acs.jmedchem.9b00516 BindingDB Entry DOI: 10.7270/Q2MP56H6
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50503977 (CHEMBL4465902) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)cc1 Show InChI InChI=1S/C40H45N9O8/c1-2-3-20-47(24-26-10-12-27(13-11-26)36(51)45-56)40(55)42-28-14-16-30(17-15-28)57-22-6-4-5-21-48-25-29(44-46-48)23-41-32-9-7-8-31-35(32)39(54)49(38(31)53)33-18-19-34(50)43-37(33)52/h7-17,25,33,41,56H,2-6,18-24H2,1H3,(H,42,55)(H,45,51)(H,43,50,52)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal tagged human HDAC9 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by s...				J Med Chem 62: 7042-7057 (2019) Article DOI: 10.1021/acs.jmedchem.9b00516 BindingDB Entry DOI: 10.7270/Q2MP56H6
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50503977 (CHEMBL4465902) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)cc1 Show InChI InChI=1S/C40H45N9O8/c1-2-3-20-47(24-26-10-12-27(13-11-26)36(51)45-56)40(55)42-28-14-16-30(17-15-28)57-22-6-4-5-21-48-25-29(44-46-48)23-41-32-9-7-8-31-35(32)39(54)49(38(31)53)33-18-19-34(50)43-37(33)52/h7-17,25,33,41,56H,2-6,18-24H2,1H3,(H,42,55)(H,45,51)(H,43,50,52)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal tagged human HDAC11 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by ...				J Med Chem 62: 7042-7057 (2019) Article DOI: 10.1021/acs.jmedchem.9b00516 BindingDB Entry DOI: 10.7270/Q2MP56H6
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50503977 (CHEMBL4465902) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)cc1 Show InChI InChI=1S/C40H45N9O8/c1-2-3-20-47(24-26-10-12-27(13-11-26)36(51)45-56)40(55)42-28-14-16-30(17-15-28)57-22-6-4-5-21-48-25-29(44-46-48)23-41-32-9-7-8-31-35(32)39(54)49(38(31)53)33-18-19-34(50)43-37(33)52/h7-17,25,33,41,56H,2-6,18-24H2,1H3,(H,42,55)(H,45,51)(H,43,50,52)	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	>300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal tagged human HDAC8 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by s...				J Med Chem 62: 7042-7057 (2019) Article DOI: 10.1021/acs.jmedchem.9b00516 BindingDB Entry DOI: 10.7270/Q2MP56H6
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50503977 (CHEMBL4465902) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)cc1 Show InChI InChI=1S/C40H45N9O8/c1-2-3-20-47(24-26-10-12-27(13-11-26)36(51)45-56)40(55)42-28-14-16-30(17-15-28)57-22-6-4-5-21-48-25-29(44-46-48)23-41-32-9-7-8-31-35(32)39(54)49(38(31)53)33-18-19-34(50)43-37(33)52/h7-17,25,33,41,56H,2-6,18-24H2,1H3,(H,42,55)(H,45,51)(H,43,50,52)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal tagged human HDAC5 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by s...				J Med Chem 62: 7042-7057 (2019) Article DOI: 10.1021/acs.jmedchem.9b00516 BindingDB Entry DOI: 10.7270/Q2MP56H6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50503977 (CHEMBL4465902) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)cc1 Show InChI InChI=1S/C40H45N9O8/c1-2-3-20-47(24-26-10-12-27(13-11-26)36(51)45-56)40(55)42-28-14-16-30(17-15-28)57-22-6-4-5-21-48-25-29(44-46-48)23-41-32-9-7-8-31-35(32)39(54)49(38(31)53)33-18-19-34(50)43-37(33)52/h7-17,25,33,41,56H,2-6,18-24H2,1H3,(H,42,55)(H,45,51)(H,43,50,52)	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	>300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal tagged human HDAC1 expressed in HEK293T/17 using Ac-Gly-Ala-[Ac-Lys]-AMC as substrate preincubated for 10 mins followe...				J Med Chem 62: 7042-7057 (2019) Article DOI: 10.1021/acs.jmedchem.9b00516 BindingDB Entry DOI: 10.7270/Q2MP56H6
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50503977 (CHEMBL4465902) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)cc1 Show InChI InChI=1S/C40H45N9O8/c1-2-3-20-47(24-26-10-12-27(13-11-26)36(51)45-56)40(55)42-28-14-16-30(17-15-28)57-22-6-4-5-21-48-25-29(44-46-48)23-41-32-9-7-8-31-35(32)39(54)49(38(31)53)33-18-19-34(50)43-37(33)52/h7-17,25,33,41,56H,2-6,18-24H2,1H3,(H,42,55)(H,45,51)(H,43,50,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal tagged human HDAC4 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by s...				J Med Chem 62: 7042-7057 (2019) Article DOI: 10.1021/acs.jmedchem.9b00516 BindingDB Entry DOI: 10.7270/Q2MP56H6
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50541261 (CHEMBL4646273) Show SMILES Cn1c2ccccc2c2cc3[nH]c4ccccc4c3c(C=O)c12 Show InChI InChI=1S/C20H14N2O/c1-22-18-9-5-3-6-12(18)14-10-17-19(15(11-23)20(14)22)13-7-2-4-8-16(13)21-17/h2-11,21H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.260	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at AhR in human HepG2 cells assessed as induction of CYP1A1 expression after 24 hrs by ethoxyresorufin-O-deethylase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126959 BindingDB Entry DOI: 10.7270/Q2WQ07B9
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50541262 (6-Formylindolo[3,2-B]Carbazole | CHEMBL472031) Show SMILES O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12 Show InChI InChI=1S/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at AhR in human HepG2 cells assessed as induction of CYP1A1 expression after 24 hrs by ethoxyresorufin-O-deethylase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126959 BindingDB Entry DOI: 10.7270/Q2WQ07B9
					More data for this Ligand-Target Pair