BDBM50180306 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE::8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)adenine::CHEMBL383189::US10336757, Compound PU-HT64::US10676476, Example 5

SMILES: CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4

InChI Key: InChIKey=MWGWLDJLENCVRQ-UHFFFAOYSA-N

Data: 2 IC50  6 EC50

PDB links: 2 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 8 hits for monomerid = 50180306   

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
Hsp90 co-chaperone Cdc37 (Human)	BDBM50180306 (8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-iso...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	122	n/a	n/a	n/a	n/a
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Heat shock protein HSP 90-alpha (Human)	BDBM50180306 (8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-iso...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	38.8	n/a	n/a	n/a	n/a
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Receptor tyrosine-protein kinase erbB-2 (Human)	BDBM50180306 (8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-iso...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
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Heat shock protein HSP 90-beta (Human)	BDBM50180306 (8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-iso...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.33E+4	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)	BDBM50180306 (8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-iso...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	38.8	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)	BDBM50180306 (8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-iso...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	55.4	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)	BDBM50180306 (8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-iso...) 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)	BDBM50180306 (8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-iso...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair