BDBM50048384 CHEMBL3309979

SMILES: Nc1nc2c3ccccc3nc(CCc3cccc(N)c3)n2n1

InChI Key: InChIKey=DNHYUSSEMFHEAT-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 = 50048384   

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))	BDBM50048384 (CHEMBL3309979) Show SMILES Nc1nc2c3ccccc3nc(CCc3cccc(N)c3)n2n1 Show InChI InChI=1S/C17H16N6/c18-12-5-3-4-11(10-12)8-9-15-20-14-7-2-1-6-13(14)16-21-17(19)22-23(15)16/h1-7,10H,8-9,18H2,(H2,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.52E+4	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 NMR FAXS screening method				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