BDBM50048375 CHEMBL3310152

SMILES: Nc1nc2c3c(NCCO)cc(F)cc3nc(Cc3ccc4OCOc4c3)n2n1

InChI Key: InChIKey=VTYBTDCJZWSDTA-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 = 50048375   

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))	BDBM50048375 (CHEMBL3310152) Show SMILES Nc1nc2c3c(NCCO)cc(F)cc3nc(Cc3ccc4OCOc4c3)n2n1 Show InChI InChI=1S/C19H17FN6O3/c20-11-7-12(22-3-4-27)17-13(8-11)23-16(26-18(17)24-19(21)25-26)6-10-1-2-14-15(5-10)29-9-28-14/h1-2,5,7-8,22,27H,3-4,6,9H2,(H2,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	179	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