BDBM20765 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-ethyl-9H-purin-6-amine::Benzothiazole analogue, 18

SMILES: CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12

InChI Key: InChIKey=PFJIUNGUDAQBRN-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 = 20765   

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))	BDBM20765 (8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-eth...) Show SMILES CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C14H11ClN6S2/c1-2-21-12-9(11(16)17-6-18-12)20-13(21)23-14-19-8-5-3-4-7(15)10(8)22-14/h3-6H,2H2,1H3,(H2,16,17,18)	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	200	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