BDBM50195133 (S)-N-(2-chlorophenyl)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-8-oxononanamide::CHEMBL216414

SMILES: COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)C(=O)Nc3ccccc3Cl)c2c1

InChI Key: InChIKey=PPCBFPVRIUFRPQ-VWLOTQADSA-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 = 50195133   

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))	BDBM50195133 ((S)-N-(2-chlorophenyl)-2-(2-(5-methoxy-2-methyl-1H...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)C(=O)Nc3ccccc3Cl)c2c1 Show InChI InChI=1S/C27H32ClN3O4/c1-17(32)9-5-4-6-12-25(27(34)31-24-11-8-7-10-22(24)28)30-26(33)16-20-18(2)29-23-14-13-19(35-3)15-21(20)23/h7-8,10-11,13-15,25,29H,4-6,9,12,16H2,1-3H3,(H,30,33)(H,31,34)/t25-/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 Similars	Article PubMed	n/a	n/a	3.30E+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