BDBM50216685 (4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin-1-yl)methanone::CHEMBL226115

SMILES: [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12

InChI Key: InChIKey=KLNPVNZJCWIQSK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50216685   

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-3 (SIRT3) (Homo sapiens (Human))	BDBM50216685 ((4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin...) Show SMILES [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12 Show InChI InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay				Science 317: 516-9 (2007) Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50216685 ((4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin...) Show SMILES [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12 Show InChI InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of sirtuin 2 (unknown origin)				Eur J Med Chem 161: 48-77 (2019)
					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50216685 ((4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin...) Show SMILES [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12 Show InChI InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay				Science 317: 516-9 (2007) Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50216685 ((4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin...) Show SMILES [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12 Show InChI InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay				Science 317: 516-9 (2007) Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG
					More data for this Ligand-Target Pair