Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50366693'   

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 (Homo sapiens (Human))	BDBM50366693 (CHEMBL1793812) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCCN2CC1=O Show InChI InChI=1S/C35H49N5O7/c1-4-22(2)32-30(42)20-39-17-11-10-15-28(39)35(45)36-25(13-6-5-7-16-29(41)31-21-47-31)33(43)37-26(34(44)38-32)18-23-19-40(46-3)27-14-9-8-12-24(23)27/h8-9,12,14,19,22,25-26,28,31-32H,4-7,10-11,13,15-18,20-21H2,1-3H3,(H,36,45)(H,37,43)(H,38,44)/t22-,25-,26-,28+,31?,32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) derived from partially purified extracts of human HeLa cells				Bioorg Med Chem Lett 11: 107-11 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XNX
					More data for this Ligand-Target Pair
Histone deacetylase (Cryptosporidium parvum)	BDBM50366693 (CHEMBL1793812) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCCN2CC1=O Show InChI InChI=1S/C35H49N5O7/c1-4-22(2)32-30(42)20-39-17-11-10-15-28(39)35(45)36-25(13-6-5-7-16-29(41)31-21-47-31)33(43)37-26(34(44)38-32)18-23-19-40(46-3)27-14-9-8-12-24(23)27/h8-9,12,14,19,22,25-26,28,31-32H,4-7,10-11,13,15-18,20-21H2,1-3H3,(H,36,45)(H,37,43)(H,38,44)/t22-,25-,26-,28+,31?,32-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) from partially purified extracts of Eimeria tenella protozoal cells				Bioorg Med Chem Lett 11: 107-11 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XNX
					More data for this Ligand-Target Pair