BDBM20754 8-(1,3-benzothiazol-2-ylsulfanyl)-9-butyl-9H-purin-6-amine::Benzothiazole analogue, 7

SMILES: CCCCn1c(Sc2nc3ccccc3s2)nc2c(N)ncnc12

InChI Key: InChIKey=JWKQWAAEXIOZOY-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 = 20754   

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))	BDBM20754 (8-(1,3-benzothiazol-2-ylsulfanyl)-9-butyl-9H-purin...) Show SMILES CCCCn1c(Sc2nc3ccccc3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H16N6S2/c1-2-3-8-22-14-12(13(17)18-9-19-14)21-15(22)24-16-20-10-6-4-5-7-11(10)23-16/h4-7,9H,2-3,8H2,1H3,(H2,17,18,19)	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	5.00E+3	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: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair