BDBM50540049 CHEMBL4216938

SMILES: Cn1nc(-c2cnc3ccccc3c2)c2cc(NCc3cc(F)ccc3S(C)(=O)=O)ccc12

InChI Key: InChIKey=ZUOYFGAINGZVGF-UHFFFAOYSA-N

Data: 1 EC50

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 = 50540049   

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
NAD-dependent deacetylase sirtuin 1 (Homo sapiens (Human))	BDBM50540049 (CHEMBL4216938) Show SMILES Cn1nc(-c2cnc3ccccc3c2)c2cc(NCc3cc(F)ccc3S(C)(=O)=O)ccc12 Show InChI InChI=1S/C25H21FN4O2S/c1-30-23-9-8-20(27-14-17-12-19(26)7-10-24(17)33(2,31)32)13-21(23)25(29-30)18-11-16-5-3-4-6-22(16)28-15-18/h3-13,15,27H,14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of sirtuin 1 (unknown origin)				Eur J Med Chem 161: 48-77 (2019)
					More data for this Ligand-Target Pair