null

SMILES: NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCOCCOCCSSCCCCCCC(=O)Nc3ncc(s3)-c3ccccc3)C(O)=O)C=NC2=N1

InChI Key: InChIKey=AYBOMLWSHIYZGP-MWGAKABSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50476883   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase (Homo sapiens (Human))	BDBM50476883 (CHEMBL235880) Show SMILES NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCOCCOCCSSCCCCCCC(=O)Nc3ncc(s3)-c3ccccc3)C(O)=O)C=NC2=N1 |c:61,64,t:1,6| Show InChI InChI=1S/C41H50N10O8S3/c42-40-50-36-35(38(55)51-40)47-30(25-45-36)24-44-29-13-11-28(12-14-29)37(54)48-31(39(56)57)15-16-33(52)43-17-18-58-19-20-59-21-23-61-60-22-7-2-1-6-10-34(53)49-41-46-26-32(62-41)27-8-4-3-5-9-27/h3-5,8-9,11-14,25-26,31,35,44H,1-2,6-7,10,15-24H2,(H,43,52)(H,48,54)(H,56,57)(H2,42,51,55)(H,46,49,53)/t31-,35?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of HDAC in HeLa cells in presence of DTT after 30 mins by fluorescent activity assay				Bioorg Med Chem Lett 17: 4208-12 (2007) Article DOI: 10.1016/j.bmcl.2007.05.040 BindingDB Entry DOI: 10.7270/Q2GH9MRV
					More data for this Ligand-Target Pair