BDBM50207417 CHEMBL3922571

SMILES: Nc1nc(Cl)c2c(Cc3ccccc3)cn(Cc3cc4OCOc4cc3I)c2n1

InChI Key: InChIKey=RZDOBGUSJPRWTM-UHFFFAOYSA-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 = 50207417   

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))	BDBM50207417 (CHEMBL3922571) Show SMILES Nc1nc(Cl)c2c(Cc3ccccc3)cn(Cc3cc4OCOc4cc3I)c2n1 Show InChI InChI=1S/C21H16ClIN4O2/c22-19-18-14(6-12-4-2-1-3-5-12)10-27(20(18)26-21(24)25-19)9-13-7-16-17(8-15(13)23)29-11-28-16/h1-5,7-8,10H,6,9,11H2,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair