Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50195117'   

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))	BDBM50195117 (CHEMBL387224 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...) Show SMILES CN1CCCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C32H42N4O3/c1-23(37)12-5-3-8-18-29(35-31(38)25-15-11-21-36(2)22-25)32(39)33-20-19-27-26-16-9-10-17-28(26)34-30(27)24-13-6-4-7-14-24/h4,6-7,9-10,13-14,16-17,25,29,34H,3,5,8,11-12,15,18-22H2,1-2H3,(H,33,39)(H,35,38)/t25?,29-/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	200	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1 (mean IC50)				Bioorg Med Chem Lett 16: 5948-52 (2006) Article DOI: 10.1016/j.bmcl.2006.09.002 BindingDB Entry DOI: 10.7270/Q2RN38PD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50195117 (CHEMBL387224 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...) Show SMILES CN1CCCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C32H42N4O3/c1-23(37)12-5-3-8-18-29(35-31(38)25-15-11-21-36(2)22-25)32(39)33-20-19-27-26-16-9-10-17-28(26)34-30(27)24-13-6-4-7-14-24/h4,6-7,9-10,13-14,16-17,25,29,34H,3,5,8,11-12,15,18-22H2,1-2H3,(H,33,39)(H,35,38)/t25?,29-/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	200	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of human HDAC1				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50195117 (CHEMBL387224 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...) Show SMILES CN1CCCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C32H42N4O3/c1-23(37)12-5-3-8-18-29(35-31(38)25-15-11-21-36(2)22-25)32(39)33-20-19-27-26-16-9-10-17-28(26)34-30(27)24-13-6-4-7-14-24/h4,6-7,9-10,13-14,16-17,25,29,34H,3,5,8,11-12,15,18-22H2,1-2H3,(H,33,39)(H,35,38)/t25?,29-/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of HDAC1 from human HeLa cells				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
					More data for this Ligand-Target Pair