BDBM50456401 IRIGENOL

SMILES: Oc1cc(cc(O)c1O)-c1coc2cc(O)c(O)c(O)c2c1=O

InChI Key: InChIKey=DFURNQJNFBMYHM-UHFFFAOYSA-N

Data: 4 IC50  1 Kd

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 = 50456401   

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
Regulator of G-protein signaling 17 (Homo sapiens)	BDBM50456401 (IRIGENOL) Show SMILES Oc1cc(cc(O)c1O)-c1coc2cc(O)c(O)c(O)c2c1=O Show InChI InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of RGS17 (unknown origin) GAP activity in presence of GTP by malachite green dye based assay				J Nat Prod 80: 1992-2000 (2017) Article DOI: 10.1021/acs.jnatprod.7b00112 BindingDB Entry DOI: 10.7270/Q2RB777K
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 17 (Homo sapiens)	BDBM50456401 (IRIGENOL) Show SMILES Oc1cc(cc(O)c1O)-c1coc2cc(O)c(O)c(O)c2c1=O Show InChI InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged RGS17 (unknown origin) interaction with biotinylated Galphao after 30 mins in presence of AMF and GDP by AlphaScre...				J Nat Prod 80: 1992-2000 (2017) Article DOI: 10.1021/acs.jnatprod.7b00112 BindingDB Entry DOI: 10.7270/Q2RB777K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S (Homo sapiens (Human))	BDBM50456401 (IRIGENOL) Show SMILES Oc1cc(cc(O)c1O)-c1coc2cc(O)c(O)c(O)c2c1=O Show InChI InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	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
Regulator of G-protein signaling 17 (Homo sapiens)	BDBM50456401 (IRIGENOL) Show SMILES Oc1cc(cc(O)c1O)-c1coc2cc(O)c(O)c(O)c2c1=O Show InChI InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.10E+5	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Binding affinity to RGS17 (unknown origin) by ITC method				J Nat Prod 80: 1992-2000 (2017) Article DOI: 10.1021/acs.jnatprod.7b00112 BindingDB Entry DOI: 10.7270/Q2RB777K
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 17 (Homo sapiens)	BDBM50456401 (IRIGENOL) Show SMILES Oc1cc(cc(O)c1O)-c1coc2cc(O)c(O)c(O)c2c1=O Show InChI InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of RGS17 (unknown origin) C117A mutant interaction with biotinylated Galphao after 30 mins in presence of AMF and GDP by AlphaScreen assay				J Nat Prod 80: 1992-2000 (2017) Article DOI: 10.1021/acs.jnatprod.7b00112 BindingDB Entry DOI: 10.7270/Q2RB777K
					More data for this Ligand-Target Pair