BDBM16084 AXQ093::tert-butyl N-[(3R,6S,9R,13E)-3-[(1S,3R)-3-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl]carbamate::tert-butyl {(3R,6S,9R,13E)-3-[(1S,3R)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]amino}-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate::trans-dithia macrocycle compound 42

SMILES: CCCCNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(C)C

InChI Key: InChIKey=YFVXRNZNJJXEKV-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 16084   

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
Beta-secretase 1 [1-453] (Human)	BDBM16084 (tert-butyl N-[(3R,6S,9R,13E)-3-[(1S,3R)-3-{[(1S)-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM16084 (tert-butyl N-[(3R,6S,9R,13E)-3-[(1S,3R)-3-{[(1S)-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair