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SMILES: COc1cc(cc(OC)c1OC)-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O

InChI Key: InChIKey=OGKNXFITCNQHMN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 225731   

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 protein HSP 90-beta (Homo sapiens (Human))	BDBM225731 (hsp90_24) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-6.91,-4.47,;-5.41,-4.15,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.3,-9.37,;-5.8,-9.69,;-4.85,-6.76,;-6.36,-7.08,;-6.83,-8.54,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C22H20N2O6/c1-28-19-8-12(9-20(29-2)21(19)30-3)13-10-16(18(26)11-17(13)25)24-15-7-5-4-6-14(15)23-22(24)27/h4-11,25-26H,1-3H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225731 (hsp90_24) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-6.91,-4.47,;-5.41,-4.15,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.3,-9.37,;-5.8,-9.69,;-4.85,-6.76,;-6.36,-7.08,;-6.83,-8.54,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C22H20N2O6/c1-28-19-8-12(9-20(29-2)21(19)30-3)13-10-16(18(26)11-17(13)25)24-15-7-5-4-6-14(15)23-22(24)27/h4-11,25-26H,1-3H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225731 (hsp90_24) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-6.91,-4.47,;-5.41,-4.15,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.3,-9.37,;-5.8,-9.69,;-4.85,-6.76,;-6.36,-7.08,;-6.83,-8.54,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C22H20N2O6/c1-28-19-8-12(9-20(29-2)21(19)30-3)13-10-16(18(26)11-17(13)25)24-15-7-5-4-6-14(15)23-22(24)27/h4-11,25-26H,1-3H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	993	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair