Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50011924   

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 (Mus musculus (Mouse))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells				J Med Chem 45: 1778-84 (2002) BindingDB Entry DOI: 10.7270/Q2C53K55
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description In vitro for anti-HD2 (Histone deacetylase 2) activity in maize				J Med Chem 45: 1778-84 (2002) BindingDB Entry DOI: 10.7270/Q2C53K55
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	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)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description In vitro for anti-HD2 (Histone deacetylase 2) activity in maize				J Med Chem 45: 1778-84 (2002) BindingDB Entry DOI: 10.7270/Q2C53K55
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells				J Med Chem 45: 1778-84 (2002) BindingDB Entry DOI: 10.7270/Q2C53K55
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2b (Zea mays)	BDBM50100456 (CHEMBL51356 | N-Hydroxy-3-[(E)-1-methyl-4-(4-methy...) Show SMILES Cc1ccc(cc1)C(=O)c1cc(\C=C\C(=O)NO)n(C)c1 Show InChI InChI=1S/C16H16N2O3/c1-11-3-5-12(6-4-11)16(20)13-9-14(18(2)10-13)7-8-15(19)17-21/h3-10,21H,1-2H3,(H,17,19)/b8-7+	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description In vitro for anti-HD2 (Histone deacetylase 2) activity in maize				J Med Chem 45: 1778-84 (2002) BindingDB Entry DOI: 10.7270/Q2C53K55
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50100455 (3-[(E)-4-(4-Dimethylamino-benzoyl)-1-methyl-1H-pyr...) Show SMILES CN(C)c1ccc(cc1)C(=O)c1cc(\C=C\C(=O)NO)n(C)c1 Show InChI InChI=1S/C17H19N3O3/c1-19(2)14-6-4-12(5-7-14)17(22)13-10-15(20(3)11-13)8-9-16(21)18-23/h4-11,23H,1-3H3,(H,18,21)/b9-8+	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description In vitro for anti-HD2 (Histone deacetylase 2) activity in maize				J Med Chem 45: 1778-84 (2002) BindingDB Entry DOI: 10.7270/Q2C53K55
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50100452 (3-((E)-4-Benzoyl-1-methyl-1H-pyrrol-2-yl)-N-hydrox...) Show SMILES Cn1cc(cc1\C=C\C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C15H14N2O3/c1-17-10-12(9-13(17)7-8-14(18)16-20)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description In vitro for anti-HD2 (Histone deacetylase 2) activity in maize				J Med Chem 45: 1778-84 (2002) BindingDB Entry DOI: 10.7270/Q2C53K55
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM50100455 (3-[(E)-4-(4-Dimethylamino-benzoyl)-1-methyl-1H-pyr...) Show SMILES CN(C)c1ccc(cc1)C(=O)c1cc(\C=C\C(=O)NO)n(C)c1 Show InChI InChI=1S/C17H19N3O3/c1-19(2)14-6-4-12(5-7-14)17(22)13-10-15(20(3)11-13)8-9-16(21)18-23/h4-11,23H,1-3H3,(H,18,21)/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells				J Med Chem 45: 1778-84 (2002) BindingDB Entry DOI: 10.7270/Q2C53K55
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM50100456 (CHEMBL51356 | N-Hydroxy-3-[(E)-1-methyl-4-(4-methy...) Show SMILES Cc1ccc(cc1)C(=O)c1cc(\C=C\C(=O)NO)n(C)c1 Show InChI InChI=1S/C16H16N2O3/c1-11-3-5-12(6-4-11)16(20)13-9-14(18(2)10-13)7-8-15(19)17-21/h3-10,21H,1-2H3,(H,17,19)/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells				J Med Chem 45: 1778-84 (2002) BindingDB Entry DOI: 10.7270/Q2C53K55
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM50100452 (3-((E)-4-Benzoyl-1-methyl-1H-pyrrol-2-yl)-N-hydrox...) Show SMILES Cn1cc(cc1\C=C\C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C15H14N2O3/c1-17-10-12(9-13(17)7-8-14(18)16-20)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells				J Med Chem 45: 1778-84 (2002) BindingDB Entry DOI: 10.7270/Q2C53K55
					More data for this Ligand-Target Pair