Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50008782   

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 1 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522146 (CHEMBL4469317) Show SMILES COc1ccc(CNCc2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-9-6-16(7-10-17)13-19-12-15-4-2-14(3-5-15)8-11-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b11-8+	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	381	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522151 (CHEMBL4571280) Show SMILES COc1ccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c(OC)c1 Show InChI InChI=1S/C19H22N2O4/c1-24-17-9-8-16(18(11-17)25-2)13-20-12-15-5-3-14(4-6-15)7-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-7+	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	449	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522147 (CHEMBL4573804) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-4-2-3-16(11-17)13-19-12-15-7-5-14(6-8-15)9-10-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b10-9+	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	463	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522149 (CHEMBL4516302) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1OC Show InChI InChI=1S/C19H22N2O4/c1-24-17-5-3-4-16(19(17)25-2)13-20-12-15-8-6-14(7-9-15)10-11-18(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b11-10+	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	602	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522148 (CHEMBL4454331) Show SMILES COc1ccccc1CNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-5-3-2-4-16(17)13-19-12-15-8-6-14(7-9-15)10-11-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b11-10+	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	610	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522145 (CHEMBL4463774) Show SMILES COc1ccc(OC)c(CNCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C19H22N2O4/c1-24-17-8-9-18(25-2)16(11-17)13-20-12-15-5-3-14(4-6-15)7-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-7+	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	620	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522150 (CHEMBL4466520) Show SMILES COc1cccc(OC)c1CNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C19H22N2O4/c1-24-17-4-3-5-18(25-2)16(17)13-20-12-15-8-6-14(7-9-15)10-11-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b11-10+	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	636	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522143 (CHEMBL4518387) Show SMILES COc1cc(CNCc2ccc(\C=C\C(=O)NO)cc2)cc(OC)c1 Show InChI InChI=1S/C19H22N2O4/c1-24-17-9-16(10-18(11-17)25-2)13-20-12-15-5-3-14(4-6-15)7-8-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b8-7+	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	837	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522144 (CHEMBL4466864) Show SMILES COc1ccc(CNCc2ccc(\C=C\C(=O)NO)cc2)cc1OC Show InChI InChI=1S/C19H22N2O4/c1-24-17-9-7-16(11-18(17)25-2)13-20-12-15-5-3-14(4-6-15)8-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-8+	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair