BDBM50221738 CHEMBL1790595

SMILES: [H][C@@]12CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCCC(=O)NO)NC2=O)[C@H](C)CC

InChI Key: InChIKey=IDNMSLGHIWCDPW-JFQDAJFZSA-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 = 50221738   

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 (Mus musculus-Mus musculus (Mouse))	BDBM50221738 (CHEMBL1790595) Show SMILES [H][C@@]12CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCCC(=O)NO)NC2=O)[C@H](C)CC Show InChI InChI=1S/C31H47N5O7/c1-4-20(2)27-31(41)36-18-10-9-12-25(36)30(40)32-23(11-7-5-6-8-13-26(37)35-42)28(38)33-24(29(39)34-27)19-21-14-16-22(43-3)17-15-21/h14-17,20,23-25,27,42H,4-13,18-19H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,35,37)/t20-,23+,24-,25+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylases (HDAC) prepared from mouse melanoma B16/BL6 cells				Bioorg Med Chem Lett 14: 2427-31 (2004) Article DOI: 10.1016/j.bmcl.2004.03.018 BindingDB Entry DOI: 10.7270/Q20V8DC5
					More data for this Ligand-Target Pair