BDBM50079798 CHEMBL99661

SMILES: CNCC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO

InChI Key: InChIKey=OYAVWPGJVMCYBE-MSGGHENISA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079798   

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))	BDBM50079798 (CHEMBL99661) Show SMILES CNCC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C25H33N3O4S2.2C2HF3O2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23;2*3-2(4,5)1(6)7/h2-10,18-19,21-22,33H,11-16,26H2,1H3,(H,27,29)(H,30,31);2*(H,6,7)/t18?,19-,21-,22-;;/m0../s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells				Bioorg Med Chem Lett 12: 2919-23 (2002) BindingDB Entry DOI: 10.7270/Q2C24ZMW
					More data for this Ligand-Target Pair