BDBM50195124 (R)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-8-oxo-N-(2-(2-phenyl-1H-indol-3-yl)ethyl)nonanamide::CHEMBL384472

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

InChI Key: InChIKey=WAUOSDUSMVNOQK-UUWRZZSWSA-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 = 50195124   

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))	BDBM50195124 ((R)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@H](CCCCCC(C)=O)C(=O)NCCc3c([nH]c4ccccc34)-c3ccccc3)c2c1 Show InChI InChI=1S/C37H42N4O4/c1-24(42)12-6-4-9-17-34(40-35(43)23-30-25(2)39-33-19-18-27(45-3)22-31(30)33)37(44)38-21-20-29-28-15-10-11-16-32(28)41-36(29)26-13-7-5-8-14-26/h5,7-8,10-11,13-16,18-19,22,34,39,41H,4,6,9,12,17,20-21,23H2,1-3H3,(H,38,44)(H,40,43)/t34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	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