BDBM50023796 CHEMBL3330361

SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(C(=O)C=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)CCCCCCCC(=O)NO

InChI Key: InChIKey=MVLZUZVGYDGDCG-XJCTWOPSSA-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 = 50023796   

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))	BDBM50023796 (CHEMBL3330361) Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(C(=O)C=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)CCCCCCCC(=O)NO |r,t:10| Show InChI InChI=1S/C38H62N2O5/c1-24-15-18-34(3)21-22-36(5)26(32(34)25(24)2)23-27(41)33-35(4)19-17-29(42)38(7,28(35)16-20-37(33,36)6)39-30(43)13-11-9-8-10-12-14-31(44)40-45/h23-25,28-29,32-33,42,45H,8-22H2,1-7H3,(H,39,43)(H,40,44)/t24-,25+,28-,29-,32+,33-,34-,35+,36-,37-,38-/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	4.80E+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
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