BDBM110222 US8618290, 59

SMILES: COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC2C[C@H](O)[C@H](O)C2)=N1

InChI Key: InChIKey=SIJSFMNBLCZDGS-IYTDCHGBSA-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 = 110222   

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))	BDBM110222 (US8618290, 59) Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC2C[C@H](O)[C@H](O)C2)=N1 |r,c:39| Show InChI InChI=1S/C26H29FN6O4/c1-13-24-20(32-26(28)29-13)11-19(31-25(24)33-37-12-14-8-21(34)22(35)9-14)16-7-6-15(27)10-17(16)18-4-3-5-23(30-18)36-2/h3-7,10,14,19,21-22,34-35H,8-9,11-12H2,1-2H3,(H,31,33)(H2,28,29,32)/t14?,19-,21-,22+/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	8	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
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