BDBM26656 5,7,3,4,5-pentahydroxyflavone::5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

SMILES: Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1

InChI Key: InChIKey=ARSRJFRKVXALTF-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer. 4 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 26656   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26656 (5,7,3,4,5-pentahydroxyflavone | 5,7-dihydroxy-2-(3...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	7.0	30
Loma Linda University					Assay Description The 96-well flat-bottomed plates were coated with recombinant GST-BAD. After the plates were blocked, the reaction buffer containing test compound an...				Mol Cancer Ther 6: 163-72 (2007) Article DOI: 10.1158/1535-7163.MCT-06-0397 BindingDB Entry DOI: 10.7270/Q2N8783K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26656 (5,7,3,4,5-pentahydroxyflavone | 5,7-dihydroxy-2-(3...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
Loma Linda University School of Medicine Curated by ChEMBL					Assay Description Inhibition of PIM1 kinase				Bioorg Med Chem 15: 6463-73 (2007) Checked by Author Article DOI: 10.1016/j.bmc.2007.06.025 BindingDB Entry DOI: 10.7270/Q2C24W4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26656 (5,7,3,4,5-pentahydroxyflavone | 5,7-dihydroxy-2-(3...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli after 60 mins by ELISA				Bioorg Med Chem 27: 677-685 (2019) Article DOI: 10.1016/j.bmc.2019.01.027
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase S (Homo sapiens (Human))	BDBM26656 (5,7,3,4,5-pentahydroxyflavone | 5,7-dihydroxy-2-(3...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis				Bioorg Med Chem Lett 26: 87-93 (2016) Article DOI: 10.1016/j.bmcl.2015.11.026 BindingDB Entry DOI: 10.7270/Q2M048FV
					More data for this Ligand-Target Pair
Sialidase 2 (Homo sapiens (Human))	BDBM26656 (5,7,3,4,5-pentahydroxyflavone | 5,7-dihydroxy-2-(3...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay				Bioorg Med Chem 18: 1633-40 (2010) Article DOI: 10.1016/j.bmc.2009.12.062 BindingDB Entry DOI: 10.7270/Q26110F1
					More data for this Ligand-Target Pair