null

SMILES: CCc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc12

InChI Key: InChIKey=PRTSGWBMBMVIFF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50193048   

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 protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50193048 (CHEMBL3934191) Show SMILES CCc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc12 |(6.08,-32,;7.15,-33.1,;8.65,-32.73,;9.07,-31.25,;10.57,-30.87,;11.64,-31.98,;11.21,-33.45,;9.72,-33.83,;9.3,-35.31,;10.25,-36.51,;11.79,-36.46,;9.38,-37.79,;9.91,-39.24,;8.93,-40.42,;11.43,-39.5,;12.42,-38.33,;13.94,-38.59,;15.05,-37.51,;16.41,-38.24,;16.14,-39.76,;14.62,-39.97,;7.91,-37.37,;6.59,-38.19,;5.23,-37.46,;3.93,-38.27,;2.58,-37.55,;2.51,-36,;3.82,-35.2,;5.18,-35.92,;6.5,-35.11,;7.85,-35.83,)| Show InChI InChI=1S/C24H25N5O2/c1-2-15-8-3-6-12-19(15)29-22(25)20(24(30)26-14-16-9-7-13-31-16)21-23(29)28-18-11-5-4-10-17(18)27-21/h3-6,8,10-12,16H,2,7,9,13-14,25H2,1H3,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	<1.00E+3	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
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50193048 (CHEMBL3934191) Show SMILES CCc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc12 |(6.08,-32,;7.15,-33.1,;8.65,-32.73,;9.07,-31.25,;10.57,-30.87,;11.64,-31.98,;11.21,-33.45,;9.72,-33.83,;9.3,-35.31,;10.25,-36.51,;11.79,-36.46,;9.38,-37.79,;9.91,-39.24,;8.93,-40.42,;11.43,-39.5,;12.42,-38.33,;13.94,-38.59,;15.05,-37.51,;16.41,-38.24,;16.14,-39.76,;14.62,-39.97,;7.91,-37.37,;6.59,-38.19,;5.23,-37.46,;3.93,-38.27,;2.58,-37.55,;2.51,-36,;3.82,-35.2,;5.18,-35.92,;6.5,-35.11,;7.85,-35.83,)| Show InChI InChI=1S/C24H25N5O2/c1-2-15-8-3-6-12-19(15)29-22(25)20(24(30)26-14-16-9-7-13-31-16)21-23(29)28-18-11-5-4-10-17(18)27-21/h3-6,8,10-12,16H,2,7,9,13-14,25H2,1H3,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
Guru Jambheshwar University of Science and Technology Curated by ChEMBL					Assay Description Activation of recombinant human SIRT1 assessed as increase in deacetylation of Fluor de Lys-SIRT1-specific substrate after 2 hrs by HTS assay				Eur J Med Chem 119: 45-69 (2016) Article DOI: 10.1016/j.ejmech.2016.04.063 BindingDB Entry DOI: 10.7270/Q2VH5QTW
					More data for this Ligand-Target Pair