BDBM50180302 8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)adenine::8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine::8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE::CHEMBL200102::US10336757, Compound PU-H71::US10676476, Example 9

SMILES: CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4

InChI Key: InChIKey=SUPVGFZUWFMATN-UHFFFAOYSA-N

Data: 20 IC50  9 EC50

PDB links: 3 PDB IDs match 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 31 hits for monomerid = 50180302   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock protein HSP 90-beta (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	10.2	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endoplasmin (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endoplasmin (Dog)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endoplasmin (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	59.6	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	16.1	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Hsp90 co-chaperone Cdc37 (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	30.8	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endoplasmin (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endoplasmin (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	675	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Human)	BDBM50180302 (8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPRO...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair