BDBM20773 2-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-9-yl}ethan-1-ol::Benzothiazole analogue, 31

SMILES: Nc1ncnc2n(CCO)c(Sc3nc4cccc(Cl)c4s3)nc12

InChI Key: InChIKey=LLBOKJHIOONDOB-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 = 20773   

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))	BDBM20773 (2-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...) Show SMILES Nc1ncnc2n(CCO)c(Sc3nc4cccc(Cl)c4s3)nc12 Show InChI InChI=1S/C14H11ClN6OS2/c15-7-2-1-3-8-10(7)23-14(19-8)24-13-20-9-11(16)17-6-18-12(9)21(13)4-5-22/h1-3,6,22H,4-5H2,(H2,16,17,18)	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	300	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