BDBM20746 8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-(4-methylpent-3-en-1-yl)-9H-purin-6-amine::Homoprenyl analogue, 23

SMILES: [#6]-[#8]-c1ccc(I)c(-[#16]-c2nc3c(-[#7])ncnc3n2-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1

InChI Key: InChIKey=WLTOIVIRGVHOAN-UHFFFAOYSA-N

Data: 1 EC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 20746   

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))	BDBM20746 (8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-(4-methylpe...) Show SMILES [#6]-[#8]-c1ccc(I)c(-[#16]-c2nc3c(-[#7])ncnc3n2-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1 Show InChI InChI=1S/C18H20IN5OS/c1-11(2)5-4-8-24-17-15(16(20)21-10-22-17)23-18(24)26-14-9-12(25-3)6-7-13(14)19/h5-7,9-10H,4,8H2,1-3H3,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 49: 817-28 (2006) Article DOI: 10.1021/jm0503087 BindingDB Entry DOI: 10.7270/Q2BC3WT5
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