BDBM50275490 3-(2-azabicyclo[2.2.1]heptan-2-yl)-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)propanamide::CHEMBL485722

SMILES: CC(=O)CCCCC[C@H](NC(=O)CCN1CC2CCC1C2)c1nc(c[nH]1)-c1ccccc1

InChI Key: InChIKey=SKZJYAADQQZPGE-SDVLMSEASA-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 = 50275490   

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))	BDBM50275490 (3-(2-azabicyclo[2.2.1]heptan-2-yl)-N-((S)-7-oxo-1-...) Show SMILES CC(=O)CCCCC[C@H](NC(=O)CCN1CC2CCC1C2)c1nc(c[nH]1)-c1ccccc1 |r,THB:13:14:17.18:20| Show InChI InChI=1S/C26H36N4O2/c1-19(31)8-4-2-7-11-23(26-27-17-24(29-26)21-9-5-3-6-10-21)28-25(32)14-15-30-18-20-12-13-22(30)16-20/h3,5-6,9-10,17,20,22-23H,2,4,7-8,11-16,18H2,1H3,(H,27,29)(H,28,32)/t20?,22?,23-/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	220	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminally flag tagged HDAC1				Bioorg Med Chem Lett 18: 5528-32 (2008) Article DOI: 10.1016/j.bmcl.2008.09.003 BindingDB Entry DOI: 10.7270/Q24T6K81
					More data for this Ligand-Target Pair