BDBM50540060 CHEMBL4632578

SMILES: [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O

InChI Key: InChIKey=ZNYGLXKSEREWKM-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 4 hits for monomerid = 50540060   

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))	BDBM50540060 (CHEMBL4632578) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O Show InChI InChI=1S/C42H31N5O22S6/c43-24-12-22(41(50)44-25-5-1-3-20(14-25)39(48)46-31-7-9-33(72(58,59)60)29-16-27(70(52,53)54)18-35(37(29)31)74(64,65)66)11-23(13-24)42(51)45-26-6-2-4-21(15-26)40(49)47-32-8-10-34(73(61,62)63)30-17-28(71(55,56)57)19-36(38(30)32)75(67,68)69/h1-19H,43H2,(H,44,50)(H,45,51)(H,46,48)(H,47,49)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/p-6	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of sirtuin 1 (unknown origin)				Eur J Med Chem 161: 48-77 (2019)
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50540060 (CHEMBL4632578) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O Show InChI InChI=1S/C42H31N5O22S6/c43-24-12-22(41(50)44-25-5-1-3-20(14-25)39(48)46-31-7-9-33(72(58,59)60)29-16-27(70(52,53)54)18-35(37(29)31)74(64,65)66)11-23(13-24)42(51)45-26-6-2-4-21(15-26)40(49)47-32-8-10-34(73(61,62)63)30-17-28(71(55,56)57)19-36(38(30)32)75(67,68)69/h1-19H,43H2,(H,44,50)(H,45,51)(H,46,48)(H,47,49)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/p-6	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 1 (Homo sapiens (Human))	BDBM50540060 (CHEMBL4632578) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O Show InChI InChI=1S/C42H31N5O22S6/c43-24-12-22(41(50)44-25-5-1-3-20(14-25)39(48)46-31-7-9-33(72(58,59)60)29-16-27(70(52,53)54)18-35(37(29)31)74(64,65)66)11-23(13-24)42(51)45-26-6-2-4-21(15-26)40(49)47-32-8-10-34(73(61,62)63)30-17-28(71(55,56)57)19-36(38(30)32)75(67,68)69/h1-19H,43H2,(H,44,50)(H,45,51)(H,46,48)(H,47,49)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/p-6	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50540060 (CHEMBL4632578) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O Show InChI InChI=1S/C42H31N5O22S6/c43-24-12-22(41(50)44-25-5-1-3-20(14-25)39(48)46-31-7-9-33(72(58,59)60)29-16-27(70(52,53)54)18-35(37(29)31)74(64,65)66)11-23(13-24)42(51)45-26-6-2-4-21(15-26)40(49)47-32-8-10-34(73(61,62)63)30-17-28(71(55,56)57)19-36(38(30)32)75(67,68)69/h1-19H,43H2,(H,44,50)(H,45,51)(H,46,48)(H,47,49)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/p-6	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.26E+3	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