BDBM50534341 CHEMBL4526387

SMILES: CC(C)(C)c1ccc(cc1)-c1nnn([C@@H](Cc2ccccc2)C(=O)NO)c1C#CC1CC1

InChI Key: InChIKey=LERROIJXRINUAL-QHCPKHFHSA-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 = 50534341   

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 8 (Homo sapiens (Human))	BDBM50534341 (CHEMBL4526387) Show SMILES CC(C)(C)c1ccc(cc1)-c1nnn([C@@H](Cc2ccccc2)C(=O)NO)c1C#CC1CC1 |r| Show InChI InChI=1S/C26H28N4O2/c1-26(2,3)21-14-12-20(13-15-21)24-22(16-11-18-9-10-18)30(29-27-24)23(25(31)28-32)17-19-7-5-4-6-8-19/h4-8,12-15,18,23,32H,9-10,17H2,1-3H3,(H,28,31)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Boston University Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay				ACS Med Chem Lett 7: 929-932 (2016) Article DOI: 10.1021/acsmedchemlett.6b00239
					More data for this Ligand-Target Pair