BDBM136705 US8865655, 17

SMILES: CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C[C@H](OC(=O)CNC1=O)\C=C\CCSC(C)=O

InChI Key: InChIKey=FNHYTJKOMHTNFV-VGOJOIHISA-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 = 136705   

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 1 (Homo sapiens (Human))	BDBM136705 (US8865655, 17) Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C[C@H](OC(=O)CNC1=O)\C=C\CCSC(C)=O |r| Show InChI InChI=1S/C28H38N4O7S/c1-17(2)25-28(38)29-16-24(35)39-21(12-8-9-13-40-19(4)33)15-23(34)30-18(3)26(36)31-22(27(37)32-25)14-20-10-6-5-7-11-20/h5-8,10-12,17-18,21-22,25H,9,13-16H2,1-4H3,(H,29,38)(H,30,34)(H,31,36)(H,32,37)/b12-8+/t18-,21-,22-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	25
Karus Therapeutics Limited US Patent					Assay Description In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds ...				US Patent US8865655 (2014) BindingDB Entry DOI: 10.7270/Q2Z036V4
					More data for this Ligand-Target Pair