BDBM50156764 5-(9-oxo-9H-xanthen-2-yloxy)pentanoic acid::CHEMBL222502

SMILES: OC(=O)CCCCOc1ccc2oc3ccccc3c(=O)c2c1

InChI Key: InChIKey=ZCUWRMCUAYZEHP-UHFFFAOYSA-N

Data: 1 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 6 hits for monomerid = 50156764   

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))	BDBM50156764 (5-(9-oxo-9H-xanthen-2-yloxy)pentanoic acid | CHEMB...) Show SMILES OC(=O)CCCCOc1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C18H16O5/c19-17(20)7-3-4-10-22-12-8-9-16-14(11-12)18(21)13-5-1-2-6-15(13)23-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,19,20)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT2 by histone deacetylase assay				J Med Chem 47: 6292-8 (2004) Article DOI: 10.1021/jm049933m BindingDB Entry DOI: 10.7270/Q2S1820Z
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Long-chain-fatty-acid--CoA ligase 6 (Homo sapiens)	BDBM50156764 (5-(9-oxo-9H-xanthen-2-yloxy)pentanoic acid | CHEMB...) Show SMILES OC(=O)CCCCOc1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C18H16O5/c19-17(20)7-3-4-10-22-12-8-9-16-14(11-12)18(21)13-5-1-2-6-15(13)23-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,19,20)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Long-chain-fatty-acid--CoA ligase 1 (Homo sapiens)	BDBM50156764 (5-(9-oxo-9H-xanthen-2-yloxy)pentanoic acid | CHEMB...) Show SMILES OC(=O)CCCCOc1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C18H16O5/c19-17(20)7-3-4-10-22-12-8-9-16-14(11-12)18(21)13-5-1-2-6-15(13)23-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,19,20)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Long-chain-fatty-acid--CoA ligase 5 (Homo sapiens)	BDBM50156764 (5-(9-oxo-9H-xanthen-2-yloxy)pentanoic acid | CHEMB...) Show SMILES OC(=O)CCCCOc1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C18H16O5/c19-17(20)7-3-4-10-22-12-8-9-16-14(11-12)18(21)13-5-1-2-6-15(13)23-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Fatty acid CoA ligase Acsl3 (Homo sapiens)	BDBM50156764 (5-(9-oxo-9H-xanthen-2-yloxy)pentanoic acid | CHEMB...) Show SMILES OC(=O)CCCCOc1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C18H16O5/c19-17(20)7-3-4-10-22-12-8-9-16-14(11-12)18(21)13-5-1-2-6-15(13)23-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Long-chain-fatty-acid--CoA ligase 4 (Homo sapiens)	BDBM50156764 (5-(9-oxo-9H-xanthen-2-yloxy)pentanoic acid | CHEMB...) Show SMILES OC(=O)CCCCOc1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C18H16O5/c19-17(20)7-3-4-10-22-12-8-9-16-14(11-12)18(21)13-5-1-2-6-15(13)23-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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