BDBM50195113 (S)-methyl 7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-8-oxo-8-(2-(2-phenyl-1H-indol-3-yl)ethylamino)octanoate::CHEMBL385550

SMILES: COC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1

InChI Key: InChIKey=WBURJDQDBKPXRR-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 = 50195113   

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))	BDBM50195113 ((S)-methyl 7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)...) Show SMILES COC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C37H42N4O5/c1-24-29(30-22-26(45-2)18-19-32(30)39-24)23-34(42)40-33(16-8-5-9-17-35(43)46-3)37(44)38-21-20-28-27-14-10-11-15-31(27)41-36(28)25-12-6-4-7-13-25/h4,6-7,10-15,18-19,22,33,39,41H,5,8-9,16-17,20-21,23H2,1-3H3,(H,38,44)(H,40,42)/t33-/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	150	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