BDBM50355041 CHEMBL1835301

SMILES: C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1CCCN1C(C)=O)C(O)=O

InChI Key: InChIKey=ATYSAEXKVPIQEL-CQDKDKBSSA-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 = 50355041   

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 2 (Homo sapiens (Human))	BDBM50355041 (CHEMBL1835301) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1CCCN1C(C)=O)C(O)=O |r| Show InChI InChI=1S/C18H30N4O5S/c1-11(18(26)27)20-16(24)14(7-4-5-9-19-12(2)28)21-17(25)15-8-6-10-22(15)13(3)23/h11,14-15H,4-10H2,1-3H3,(H,19,28)(H,20,24)(H,21,25)(H,26,27)/t11-,14-,15-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT2 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50355041 (CHEMBL1835301) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1CCCN1C(C)=O)C(O)=O |r| Show InChI InChI=1S/C18H30N4O5S/c1-11(18(26)27)20-16(24)14(7-4-5-9-19-12(2)28)21-17(25)15-8-6-10-22(15)13(3)23/h11,14-15H,4-10H2,1-3H3,(H,19,28)(H,20,24)(H,21,25)(H,26,27)/t11-,14-,15-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair