BDBM50523787 CHEMBL4464347

SMILES: COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cc(ccn1)N(C)C

InChI Key: InChIKey=KWEWTRANJHEQQI-YTTGMZPUSA-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 = 50523787   

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))	BDBM50523787 (CHEMBL4464347) Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cc(ccn1)N(C)C |r| Show InChI InChI=1S/C34H35N5O2/c1-38(2)31-19-20-35-29(21-31)23-36-32(33(40)41-3)22-30-24-39(25-37-30)34(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-21,24-25,32,36H,22-23H2,1-3H3/t32-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 (unknown origin) using RHKK(Ac)-MCA as substrate measured after 60 mins by fluorescence assay				Bioorg Med Chem 27: 1767-1775 (2019) Article DOI: 10.1016/j.bmc.2019.03.003
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50523787 (CHEMBL4464347) Show SMILES COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1cc(ccn1)N(C)C |r| Show InChI InChI=1S/C34H35N5O2/c1-38(2)31-19-20-35-29(21-31)23-36-32(33(40)41-3)22-30-24-39(25-37-30)34(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-21,24-25,32,36H,22-23H2,1-3H3/t32-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay				Bioorg Med Chem 27: 1767-1775 (2019) Article DOI: 10.1016/j.bmc.2019.03.003
					More data for this Ligand-Target Pair