BDBM110220 US8618290, 45

SMILES: CO[C@@H]1OC(CONC2=N[C@H](Cc3nc(N)nc(C)c23)c2ccc(F)cc2-c2cccc(OC)n2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=VBFBJLPJCLFQAK-OTEKDJOKSA-N

Data: 1 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 1 hit for monomerid = 110220   

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))	BDBM110220 (US8618290, 45) Show SMILES CO[C@@H]1OC(CONC2=N[C@H](Cc3nc(N)nc(C)c23)c2ccc(F)cc2-c2cccc(OC)n2)[C@@H](O)[C@H]1O |r,t:8| Show InChI InChI=1S/C26H29FN6O6/c1-12-21-18(32-26(28)29-12)10-17(31-24(21)33-38-11-19-22(34)23(35)25(37-3)39-19)14-8-7-13(27)9-15(14)16-5-4-6-20(30-16)36-2/h4-9,17,19,22-23,25,34-35H,10-11H2,1-3H3,(H,31,33)(H2,28,29,32)/t17-,19?,22-,23-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.3	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...				US Patent US8618290 (2013) BindingDB Entry DOI: 10.7270/Q2D50KM5
					More data for this Ligand-Target Pair