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SMILES: COc1ccc(cc1)-c1c(C)noc1-c1cc(c(O)cc1O)-c1cccnc1

InChI Key: InChIKey=LOBGOMVJTPDQSA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 265050   

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-alpha (Homo sapiens (Human))	BDBM265050 (US10413550, Example 12 | US11234987, Example 12 | ...) Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(c(O)cc1O)-c1cccnc1 Show InChI InChI=1S/C22H18N2O4/c1-13-21(14-5-7-16(27-2)8-6-14)22(28-24-13)18-10-17(19(25)11-20(18)26)15-4-3-9-23-12-15/h3-12,25-26H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM265050 (US10413550, Example 12 | US11234987, Example 12 | ...) Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(c(O)cc1O)-c1cccnc1 Show InChI InChI=1S/C22H18N2O4/c1-13-21(14-5-7-16(27-2)8-6-14)22(28-24-13)18-10-17(19(25)11-20(18)26)15-4-3-9-23-12-15/h3-12,25-26H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endoplasmin/Heat shock protein 75/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta (Homo sapiens (Human)-Alligator mississippiensis (A...)	BDBM265050 (US10413550, Example 12 | US11234987, Example 12 | ...) Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(c(O)cc1O)-c1cccnc1 Show InChI InChI=1S/C22H18N2O4/c1-13-21(14-5-7-16(27-2)8-6-14)22(28-24-13)18-10-17(19(25)11-20(18)26)15-4-3-9-23-12-15/h3-12,25-26H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research US Patent					Assay Description (1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...				US Patent US10413550 (2019) BindingDB Entry DOI: 10.7270/Q2C82CP2
					More data for this Ligand-Target Pair