BDBM20750 8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]-9H-purin-6-amine::Amine, 39

SMILES: COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCNC(C)C)c1

InChI Key: InChIKey=XOGIZRHMTHEIRK-UHFFFAOYSA-N

Data: 1 EC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 20750   

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))	BDBM20750 (8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-[3-(propan-...) Show SMILES COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCNC(C)C)c1 Show InChI InChI=1S/C18H23IN6OS/c1-11(2)21-7-4-8-25-17-15(16(20)22-10-23-17)24-18(25)27-14-9-12(26-3)5-6-13(14)19/h5-6,9-11,21H,4,7-8H2,1-3H3,(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	180	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