BDBM20777 9-[2-(tert-butylamino)ethyl]-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine::Benzothiazole analogue, 35

SMILES: CC(C)(C)NCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12

InChI Key: InChIKey=LVYFHNKXKVILGQ-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 = 20777   

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))	BDBM20777 (9-[2-(tert-butylamino)ethyl]-8-[(7-chloro-1,3-benz...) Show SMILES CC(C)(C)NCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C18H20ClN7S2/c1-18(2,3)23-7-8-26-15-12(14(20)21-9-22-15)25-16(26)28-17-24-11-6-4-5-10(19)13(11)27-17/h4-6,9,23H,7-8H2,1-3H3,(H2,20,21,22)	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	140	n/a	n/a	n/a	n/a
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