BDBM20747 2-fluoro-8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-(pent-4-yn-1-yl)-9H-purin-6-amine::Pent-4-ynyl analogue, 28

SMILES: COc1ccc(I)c(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c1

InChI Key: InChIKey=DQJGAHVMXRVGOK-UHFFFAOYSA-N

Data: 1 EC50

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 = 20747   

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))	BDBM20747 (2-fluoro-8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-(p...) Show SMILES COc1ccc(I)c(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c1 Show InChI InChI=1S/C17H15FIN5OS/c1-3-4-5-8-24-15-13(14(20)22-16(18)23-15)21-17(24)26-12-9-10(25-2)6-7-11(12)19/h1,6-7,9H,4-5,8H2,2H3,(H2,20,22,23)	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	360	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
					More data for this Ligand-Target Pair