BDBM50048379 CHEMBL3310156

SMILES: CN1CCN(CC1)c1cc(F)cc2nc(Cc3ccc4OCOc4c3)n3nc(N)nc3c12

InChI Key: InChIKey=SMTBWZFWBLWQHA-UHFFFAOYSA-N

Data: 1 KI

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 = 50048379   

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))	BDBM50048379 (CHEMBL3310156) Show SMILES CN1CCN(CC1)c1cc(F)cc2nc(Cc3ccc4OCOc4c3)n3nc(N)nc3c12 Show InChI InChI=1S/C22H22FN7O2/c1-28-4-6-29(7-5-28)16-11-14(23)10-15-20(16)21-26-22(24)27-30(21)19(25-15)9-13-2-3-17-18(8-13)32-12-31-17/h2-3,8,10-11H,4-7,9,12H2,1H3,(H2,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay				Bioorg Med Chem 22: 4135-50 (2014) Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD
					More data for this Ligand-Target Pair