BDBM50195112 (S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-N1-(2-(2-phenyl-1H-indol-3-yl)ethyl)octanediamide::CHEMBL217025

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

InChI Key: InChIKey=PPNPWAYKEYBAKA-YTTGMZPUSA-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 = 50195112   

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))	BDBM50195112 ((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(N)=O)C(=O)NCCc3c([nH]c4ccccc34)-c3ccccc3)c2c1 Show InChI InChI=1S/C36H41N5O4/c1-23-28(29-21-25(45-2)17-18-31(29)39-23)22-34(43)40-32(15-7-4-8-16-33(37)42)36(44)38-20-19-27-26-13-9-10-14-30(26)41-35(27)24-11-5-3-6-12-24/h3,5-6,9-14,17-18,21,32,39,41H,4,7-8,15-16,19-20,22H2,1-2H3,(H2,37,42)(H,38,44)(H,40,43)/t32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.76E+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