BDBM50195127 (S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-8-oxo-N-(2-(2-phenyl-1H-indol-3-yl)ethyl)octanamide::CHEMBL384463

SMILES: COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC=O)C(=O)NCCc3c([nH]c4ccccc34)-c3ccccc3)c2c1

InChI Key: InChIKey=LWJWEMUCBHIFPY-XIFFEERXSA-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 = 50195127   

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))	BDBM50195127 ((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC=O)C(=O)NCCc3c([nH]c4ccccc34)-c3ccccc3)c2c1 Show InChI InChI=1S/C36H40N4O4/c1-24-29(30-22-26(44-2)17-18-32(30)38-24)23-34(42)39-33(16-8-3-4-11-21-41)36(43)37-20-19-28-27-14-9-10-15-31(27)40-35(28)25-12-6-5-7-13-25/h5-7,9-10,12-15,17-18,21-22,33,38,40H,3-4,8,11,16,19-20,23H2,1-2H3,(H,37,43)(H,39,42)/t33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1 (mean IC50)				Bioorg Med Chem Lett 16: 5948-52 (2006) Article DOI: 10.1016/j.bmcl.2006.09.002 BindingDB Entry DOI: 10.7270/Q2RN38PD
					More data for this Ligand-Target Pair