BDBM50139942 (5S,8S,11S)-5,8-Dimethyl-11-(6-oxiranyl-6-oxo-hexyl)-decahydro-3a,6,9,12-tetraaza-cyclopentacyclododecene-4,7,10,13-tetraone::CHEMBL12942

SMILES: C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)CCCCCNC1=O

InChI Key: InChIKey=CQFXBUZXFPVGBR-GXHPLKFQSA-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 = 50139942   

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 HD2 (Zea mays)	BDBM50139942 ((5S,8S,11S)-5,8-Dimethyl-11-(6-oxiranyl-6-oxo-hexy...) Show SMILES C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)CCCCCNC1=O Show InChI InChI=1S/C22H36N4O6/c1-14-20(29)23-12-8-4-7-11-19(28)26-16(22(31)25-15(2)21(30)24-14)9-5-3-6-10-17(27)18-13-32-18/h14-16,18H,3-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,26,28)/t14-,15-,16-,18?/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Concentration required for inhibition of histone deacetylase HD2 in vitro.				J Med Chem 47: 1098-109 (2004) Checked by Author Article DOI: 10.1021/jm030990+ BindingDB Entry DOI: 10.7270/Q24X5773
					More data for this Ligand-Target Pair