BDBM50246208 2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohexanecarboxylic acid::CHEMBL487046::cid_274122

SMILES: OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12

InChI Key: InChIKey=CAVIJGGXNIURPI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50246208   

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
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM50246208 (2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...) Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	9.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S75DRW
					More data for this Ligand-Target Pair
heat shock 70kDa protein 8 isoform 2 (Homo sapiens (Human))	BDBM50246208 (2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...) Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q20G3HKD
					More data for this Ligand-Target Pair
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 (Homo sapiens)	BDBM50246208 (2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...) Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry				J Med Chem 63: 5013-5030 (2020) Article DOI: 10.1021/acs.jmedchem.9b01452
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50246208 (2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...) Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
Concanavalin-A (Canavalia ensiformis)	BDBM50246208 (2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...) Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Southern University Curated by ChEMBL					Assay Description Inhibition of Canavalia ensiformis concanavalin A binding to yeast mannan by ELLA				Bioorg Med Chem Lett 18: 6573-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.095 BindingDB Entry DOI: 10.7270/Q2ZW1KRJ
					More data for this Ligand-Target Pair