BDBM50193080 CHEMBL3951539

SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Nc1cc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccc(c2)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

InChI Key: InChIKey=IBENAVXMQNQXCX-UHFFFAOYSA-H

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 = 50193080   

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))	BDBM50193080 (CHEMBL3951539) Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Nc1cc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccc(c2)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H37N7O23S6.6Na/c50-28-14-27(48(60)52-30-8-2-6-26(16-30)47(59)56-38-11-13-40(83(71,72)73)36-21-34(81(65,66)67)23-42(44(36)38)85(77,78)79)18-32(19-28)54-49(61)53-31-9-3-4-24(17-31)45(57)51-29-7-1-5-25(15-29)46(58)55-37-10-12-39(82(68,69)70)35-20-33(80(62,63)64)22-41(43(35)37)84(74,75)76;;;;;;/h1-23H,50H2,(H,51,57)(H,52,60)(H,55,58)(H,56,59)(H2,53,54,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79);;;;;;/q;6*+1/p-6	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	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guru Jambheshwar University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of full-length human N-terminal His6-tagged SIRT2 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of deacetylase activity ...				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
NAD-dependent deacetylase sirtuin 1 (Homo sapiens (Human))	BDBM50193080 (CHEMBL3951539) Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Nc1cc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccc(c2)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H37N7O23S6.6Na/c50-28-14-27(48(60)52-30-8-2-6-26(16-30)47(59)56-38-11-13-40(83(71,72)73)36-21-34(81(65,66)67)23-42(44(36)38)85(77,78)79)18-32(19-28)54-49(61)53-31-9-3-4-24(17-31)45(57)51-29-7-1-5-25(15-29)46(58)55-37-10-12-39(82(68,69)70)35-20-33(80(62,63)64)22-41(43(35)37)84(74,75)76;;;;;;/h1-23H,50H2,(H,51,57)(H,52,60)(H,55,58)(H,56,59)(H2,53,54,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79);;;;;;/q;6*+1/p-6	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	93	n/a	n/a	n/a	n/a	n/a	n/a
Guru Jambheshwar University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of full-length human N-terminal GST-tagged SIRT1 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of deacetylase activity u...				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