BDBM50088291 CHEMBL3427770

SMILES: CC1(C)CC(C(N)=O)c2[nH]nc(c2C1)-c1ccc(Cl)cc1

InChI Key: InChIKey=OKGNIDXKEISJOD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50088291   

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))	BDBM50088291 (CHEMBL3427770) Show SMILES CC1(C)CC(C(N)=O)c2[nH]nc(c2C1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H18ClN3O/c1-16(2)7-11-13(9-3-5-10(17)6-4-9)19-20-14(11)12(8-16)15(18)21/h3-6,12H,7-8H2,1-2H3,(H2,18,21)(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant SIRT1 expressed in Escherichia coli using Cbz-Lys(Ac)-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 25: 2514-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.068 BindingDB Entry DOI: 10.7270/Q2X63PN0
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50088291 (CHEMBL3427770) Show SMILES CC1(C)CC(C(N)=O)c2[nH]nc(c2C1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H18ClN3O/c1-16(2)7-11-13(9-3-5-10(17)6-4-9)19-20-14(11)12(8-16)15(18)21/h3-6,12H,7-8H2,1-2H3,(H2,18,21)(H,19,20)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant SIRT2 expressed in Escherichia coli using Cbz-Lys(Ac)-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 25: 2514-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.068 BindingDB Entry DOI: 10.7270/Q2X63PN0
					More data for this Ligand-Target Pair