BDBM20752 8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-{2-[(2-methylpropyl)amino]ethyl}-9H-purin-6-amine::Amine, 41

SMILES: COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCNCC(C)C)c1

InChI Key: InChIKey=KMJABBFGNSKIPW-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 = 20752   

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))	BDBM20752 (8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-{2-[(2-meth...) Show SMILES COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCNCC(C)C)c1 Show InChI InChI=1S/C18H23IN6OS/c1-11(2)9-21-6-7-25-17-15(16(20)22-10-23-17)24-18(25)27-14-8-12(26-3)4-5-13(14)19/h4-5,8,10-11,21H,6-7,9H2,1-3H3,(H2,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	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