BDBM50023791 CHEMBL3330356

SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@@H](O)[C@]2(C)NC(=O)CCCCCCC(=O)NO

InChI Key: InChIKey=XLNKNRYUTCJODJ-BUALWXDDSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023791   

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))	BDBM50023791 (CHEMBL3330356) Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@@H](O)[C@]2(C)NC(=O)CCCCCCC(=O)NO |r,t:9| Show InChI InChI=1S/C37H62N2O4/c1-24-16-19-33(3)22-23-35(5)26(32(33)25(24)2)14-15-27-34(4)20-18-29(40)37(7,28(34)17-21-36(27,35)6)38-30(41)12-10-8-9-11-13-31(42)39-43/h14,24-25,27-29,32,40,43H,8-13,15-23H2,1-7H3,(H,38,41)(H,39,42)/t24-,25+,27-,28-,29-,32+,33-,34-,35-,36-,37-/m1/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	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC (unknown origin)				Bioorg Med Chem Lett 24: 4729-34 (2014) Article DOI: 10.1016/j.bmcl.2014.08.007 BindingDB Entry DOI: 10.7270/Q2PZ5BDW
					More data for this Ligand-Target Pair