BDBM50099379 CHEMBL95881

SMILES: CC(C)C[C@H]1CN[C@@H](Cc2ccc(OCCCCC[C@H]1C(=O)OC(C)(C)C)cc2)C(=O)NCCCCCC(=O)NO

InChI Key: InChIKey=SOWRVDSZMRPKRG-MAZRNABJSA-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 = 50099379   

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))	BDBM50099379 (CHEMBL95881) Show SMILES CC(C)C[C@H]1CN[C@@H](Cc2ccc(OCCCCC[C@H]1C(=O)OC(C)(C)C)cc2)C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C9H18O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2/t5-,6?,7+,8?,9?,19?/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	2.10	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