BDBM20749 9-[3-(butan-2-ylamino)propyl]-8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9H-purin-6-amine::Amine, 38

SMILES: CCC(C)NCCCn1c(Sc2cc(OC)ccc2I)nc2c(N)ncnc12

InChI Key: InChIKey=KSNCNMVOGISZFZ-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 = 20749   

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))	BDBM20749 (9-[3-(butan-2-ylamino)propyl]-8-[(2-iodo-5-methoxy...) Show SMILES CCC(C)NCCCn1c(Sc2cc(OC)ccc2I)nc2c(N)ncnc12 Show InChI InChI=1S/C19H25IN6OS/c1-4-12(2)22-8-5-9-26-18-16(17(21)23-11-24-18)25-19(26)28-15-10-13(27-3)6-7-14(15)20/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H2,21,23,24)	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	210	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