Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50242050'   

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))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins followed by substrate addition measured after 30 m...				Eur J Med Chem 134: 185-206 (2017) Article DOI: 10.1016/j.ejmech.2017.03.069 BindingDB Entry DOI: 10.7270/Q2057J3Z
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair