Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50094709'   

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))	BDBM50094709 (CHEMBL3589349) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)cc1 |c:26| Show InChI InChI=1S/C60H93N17O17S2.C40H48N2O6/c1-4-31(2)48(63)59(93)75-42-30-96-95-29-41-51(85)66-27-47(82)76-23-9-13-43(76)58(92)70-36(12-5-7-21-61)52(86)71-38(25-33-15-17-34(79)18-16-33)54(88)73-40(28-78)55(89)68-35(49(64)83)11-6-8-22-65-46(81)20-19-37(69-56(42)90)53(87)72-39(26-45(62)80)60(94)77-24-10-14-44(77)57(91)67-32(3)50(84)74-41;1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h15-18,31-32,35-44,48,78-79H,4-14,19-30,61,63H2,1-3H3,(H2,62,80)(H2,64,83)(H,65,81)(H,66,85)(H,67,91)(H,68,89)(H,69,90)(H,70,92)(H,71,86)(H,72,87)(H,73,88)(H,74,84)(H,75,93);9-14,21-24,31-32H,15-20H2,1-8H3/q;+2/t31-,32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,48-;31-,32+/m00/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	107	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 15 mins by fluorogenic assay				J Med Chem 58: 4550-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b00099 BindingDB Entry DOI: 10.7270/Q2Z321CF
					More data for this Ligand-Target Pair